1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine

C17H29N3 — CID 80634462

IUPAC1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCCC1CCCN(c2ncc(CC(C)N)cc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-15-6-5-8-20(9-7-15)17-13(2)10-16(12-19-17)11-14(3)18/h10,12,14-15H,4-9,11,18H2,1-3H3
InChIKeyRYTNJVRXCDCSFN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.30
Rot. Bonds4

About 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80634462) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80634462
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCCC1CCCN(c2ncc(CC(C)N)cc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-15-6-5-8-20(9-7-15)17-13(2)10-16(12-19-17)11-14(3)18/h10,12,14-15H,4-9,11,18H2,1-3H3
InChIKeyRYTNJVRXCDCSFN-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (CID 80634462) is 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is CCC1CCCN(c2ncc(CC(C)N)cc2C)CC1.
What is the InChIKey of 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is RYTNJVRXCDCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-15-6-5-8-20(9-7-15)17-13(2)10-16(12-19-17)11-14(3)18/h10,12,14-15H,4-9,11,18H2,1-3H3.
What are the key properties of 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).