N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C15H27N3 — CID 62560797

IUPACN'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)Cc1ccncc1
InChIInChI=1S/C15H27N3/c1-14(2)5-4-8-16-11-12-18(3)13-15-6-9-17-10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3
InChIKeyPVLSWFDBNBXJTG-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.54
Rot. Bonds9

About N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62560797) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62560797
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)Cc1ccncc1
InChIInChI=1S/C15H27N3/c1-14(2)5-4-8-16-11-12-18(3)13-15-6-9-17-10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3
InChIKeyPVLSWFDBNBXJTG-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55256951
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62560797) is N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CC(C)CCCNCCN(C)Cc1ccncc1.
What is the InChIKey of N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is PVLSWFDBNBXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2)5-4-8-16-11-12-18(3)13-15-6-9-17-10-7-15/h6-7,9-10,14,16H,4-5,8,11-13H2,1-3H3.
What are the key properties of N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).