N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine

C75H91N15O2 — CID 162123617

IUPACN'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(CCCCNCCCCCNCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.NCCCCCNCCN
InChIInChI=1S/C32H40N6.2C12H10N2O.C12H12N2.C7H19N3/c1-25-9-16-35-29(20-25)31-22-27(11-18-37-31)8-4-7-14-33-13-5-3-6-15-34-24-28-12-19-38-32(23-28)30-21-26(2)10-17-36-30;2*1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;8-4-2-1-3-6-10-7-5-9/h9-12,16-23,33-34H,3-8,13-15,24H2,1-2H3;2*2-8H,1H3;3-8H,1-2H3;10H,1-9H2
InChIKeyZHSWSBXPGVPHRZ-UHFFFAOYSA-N
MW1234.66 g/mol
LogP13.04
Rot. Bonds27

About N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine

N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine (PubChem CID 162123617) has the molecular formula C75H91N15O2 and a molecular weight of 1234.66 g/mol. Its IUPAC name is N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine
PubChem CID162123617
Molecular FormulaC75H91N15O2
Molecular Weight1234.66 g/mol
Exact Mass1233.75
IUPAC NameN'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(CCCCNCCCCCNCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.NCCCCCNCCN
InChIInChI=1S/C32H40N6.2C12H10N2O.C12H12N2.C7H19N3/c1-25-9-16-35-29(20-25)31-22-27(11-18-37-31)8-4-7-14-33-13-5-3-6-15-34-24-28-12-19-38-32(23-28)30-21-26(2)10-17-36-30;2*1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;8-4-2-1-3-6-10-7-5-9/h9-12,16-23,33-34H,3-8,13-15,24H2,1-2H3;2*2-8H,1H3;3-8H,1-2H3;10H,1-9H2
InChIKeyZHSWSBXPGVPHRZ-UHFFFAOYSA-N
XLogP13.04
TPSA251.17 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.66
LogP ≤ 513.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine with MolForge

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Related Compounds

2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde
CID 11193972
5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
europium(III) trisbipyridine cryptate
CID 3081729
4-[(5R,6R,9S,13S)-7-(pyridine-3-carbonyl)-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 110195948
4-([2,2':6',2''-Terpyridin]-4'-yl)benzaldehyde
CID 12118587
US12319655, Example 444
CID 168930010
US12319655, Example 481
CID 168930609
US12319655, Example 42
CID 168930653
US12319655, Example 463
CID 169024585
[2,2':6',2''-Terpyridine]-4'-carbaldehyde
CID 11276986
N-(6-aminohexyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 91286423

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine?
The IUPAC name of N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine (CID 162123617) is N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine.
What is the SMILES notation for N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine?
The canonical SMILES for N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(C=O)ccn2)c1.Cc1ccnc(-c2cc(CCCCNCCCCCNCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.NCCCCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine?
The InChIKey is ZHSWSBXPGVPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6.2C12H10N2O.C12H12N2.C7H19N3/c1-25-9-16-35-29(20-25)31-22-27(11-18-37-31)8-4-7-14-33-13-5-3-6-15-34-24-28-12-19-38-32(23-28)30-21-26(2)10-17-36-30;2*1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;8-4-2-1-3-6-10-7-5-9/h9-12,16-23,33-34H,3-8,13-15,24H2,1-2H3;2*2-8H,1H3;3-8H,1-2H3;10H,1-9H2.
What are the key properties of N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine?
N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine has a molecular weight of 1234.66 g/mol, XLogP of 13.04, 27 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)pentane-1,5-diamine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carbaldehyde);N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]-N'-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 162123617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).