1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine

C15H27N3 — CID 113407588

IUPAC1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)NCCCc1ccccn1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)17-10-6-8-15-7-4-5-9-18-15/h4-5,7,9,13-14,16-17H,6,8,10-12H2,1-3H3
InChIKeyJMDDGZNWHCBWNR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.24
Rot. Bonds9

About 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine

1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine (PubChem CID 113407588) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine
PubChem CID113407588
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)NCCCc1ccccn1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)17-10-6-8-15-7-4-5-9-18-15/h4-5,7,9,13-14,16-17H,6,8,10-12H2,1-3H3
InChIKeyJMDDGZNWHCBWNR-UHFFFAOYSA-N
XLogP2.24
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
N-[1-(1-benzothiophen-3-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
CID 68818161
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 83042410
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine (CID 113407588) is 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine is CC(C)CNCC(C)NCCCc1ccccn1.
What is the InChIKey of 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine?
The InChIKey is JMDDGZNWHCBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)17-10-6-8-15-7-4-5-9-18-15/h4-5,7,9,13-14,16-17H,6,8,10-12H2,1-3H3.
What are the key properties of 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine?
1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine is sourced from PubChem (CID 113407588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).