1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine

C17H31N3 — CID 79483190

IUPAC1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(c1ccncc1)C(C)N
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17(14(5)18)15-8-10-19-11-9-15/h8-11,13-14,16-17H,6-7,12,18H2,1-5H3
InChIKeyUQMGEBNZJPKRSA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.62
Rot. Bonds8

About 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine

1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine (PubChem CID 79483190) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine
PubChem CID79483190
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(c1ccncc1)C(C)N
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17(14(5)18)15-8-10-19-11-9-15/h8-11,13-14,16-17H,6-7,12,18H2,1-5H3
InChIKeyUQMGEBNZJPKRSA-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine (CID 79483190) is 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine is CCC(CC)N(CC(C)C)C(c1ccncc1)C(C)N.
What is the InChIKey of 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is UQMGEBNZJPKRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-16(7-2)20(12-13(3)4)17(14(5)18)15-8-10-19-11-9-15/h8-11,13-14,16-17H,6-7,12,18H2,1-5H3.
What are the key properties of 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine?
1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 79483190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).