N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C15H26N4 — CID 62575359

IUPACN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CCNCc2cccnc2)CC1
InChIInChI=1S/C15H26N4/c1-18-9-5-15(6-10-18)19(2)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3
InChIKeyZWOKBEPVJBCFCI-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.20
Rot. Bonds6

About N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62575359) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID62575359
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CCNCc2cccnc2)CC1
InChIInChI=1S/C15H26N4/c1-18-9-5-15(6-10-18)19(2)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3
InChIKeyZWOKBEPVJBCFCI-UHFFFAOYSA-N
XLogP1.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
N'-methyl-N'-(2-methylbutyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62561508
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542886
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
CID 62423017

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 62575359) is N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN1CCC(N(C)CCNCc2cccnc2)CC1.
What is the InChIKey of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZWOKBEPVJBCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18-9-5-15(6-10-18)19(2)11-8-17-13-14-4-3-7-16-12-14/h3-4,7,12,15,17H,5-6,8-11,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62575359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).