2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine

C15H28N4 — CID 103191849

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
SMILESCCN(CCNCc1cccnc1)C(C)CN(C)C
InChIInChI=1S/C15H28N4/c1-5-19(14(2)13-18(3)4)10-9-17-12-15-7-6-8-16-11-15/h6-8,11,14,17H,5,9-10,12-13H2,1-4H3
InChIKeyRRSKMLZHUWCGQR-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds9

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine (PubChem CID 103191849) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
PubChem CID103191849
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
SMILESCCN(CCNCc1cccnc1)C(C)CN(C)C
InChIInChI=1S/C15H28N4/c1-5-19(14(2)13-18(3)4)10-9-17-12-15-7-6-8-16-11-15/h6-8,11,14,17H,5,9-10,12-13H2,1-4H3
InChIKeyRRSKMLZHUWCGQR-UHFFFAOYSA-N
XLogP1.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine with MolForge

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Related Compounds

N'-methyl-N'-(2-methylbutyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62561508
N'-ethyl-N-(pyridin-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556127
N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62555848
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N'-butyl-N'-phenyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 64584475
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2-propan-2-ylsulfonyl-N-(pyridin-3-ylmethyl)ethanamine
CID 106513112
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine (CID 103191849) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine is CCN(CCNCc1cccnc1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine?
The InChIKey is RRSKMLZHUWCGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-19(14(2)13-18(3)4)10-9-17-12-15-7-6-8-16-11-15/h6-8,11,14,17H,5,9-10,12-13H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103191849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).