N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine

C16H27N3 — CID 62281231

IUPACN-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CCCCCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-14(2)18-13-15-12-16(8-9-17-15)19-10-6-4-3-5-7-11-19/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3
InChIKeyGSMWXFQDGRKRJB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds4

About N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62281231) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62281231
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CCCCCCC2)ccn1
InChIInChI=1S/C16H27N3/c1-14(2)18-13-15-12-16(8-9-17-15)19-10-6-4-3-5-7-11-19/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3
InChIKeyGSMWXFQDGRKRJB-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]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 N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine (CID 62281231) is N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(N2CCCCCCC2)ccn1.
What is the InChIKey of N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is GSMWXFQDGRKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)18-13-15-12-16(8-9-17-15)19-10-6-4-3-5-7-11-19/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62281231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).