2-pentyl-1H-azonine

C13H19N — CID 174935963

IUPAC2-pentyl-1H-azonine
SMILESCCCCCc1ccccccc[nH]1
InChIInChI=1S/C13H19N/c1-2-3-7-10-13-11-8-5-4-6-9-12-14-13/h4-6,8-9,11-12,14H,2-3,7,10H2,1H3/b6-4-,8-5-,12-9-,13-11-
InChIKeyWBYHDZMIAKKFLH-UDAKOBITSA-N
MW189.30 g/mol
LogP3.87
Rot. Bonds4

About 2-pentyl-1H-azonine

2-pentyl-1H-azonine (PubChem CID 174935963) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-pentyl-1H-azonine.

Molecular Properties

Compound Name2-pentyl-1H-azonine
PubChem CID174935963
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-pentyl-1H-azonine
SMILESCCCCCc1ccccccc[nH]1
InChIInChI=1S/C13H19N/c1-2-3-7-10-13-11-8-5-4-6-9-12-14-13/h4-6,8-9,11-12,14H,2-3,7,10H2,1H3/b6-4-,8-5-,12-9-,13-11-
InChIKeyWBYHDZMIAKKFLH-UDAKOBITSA-N
XLogP3.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-pentyl-1H-azonine with MolForge

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

Launch Full Analysis

Related Compounds

2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
hexane;1H-pyridin-2-one
CID 175013137
2-[4-[3-(2-phenylethyl)phenyl]butyl]-1H-pyrrole
CID 142106669
6-(1H-pyrrol-2-ylmethyl)undecan-6-ol
CID 67818955
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-azonine?
The IUPAC name of 2-pentyl-1H-azonine (CID 174935963) is 2-pentyl-1H-azonine.
What is the SMILES notation for 2-pentyl-1H-azonine?
The canonical SMILES for 2-pentyl-1H-azonine is CCCCCc1ccccccc[nH]1.
What is the InChIKey of 2-pentyl-1H-azonine?
The InChIKey is WBYHDZMIAKKFLH-UDAKOBITSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-7-10-13-11-8-5-4-6-9-12-14-13/h4-6,8-9,11-12,14H,2-3,7,10H2,1H3/b6-4-,8-5-,12-9-,13-11-.
What are the key properties of 2-pentyl-1H-azonine?
2-pentyl-1H-azonine has a molecular weight of 189.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-azonine is sourced from PubChem (CID 174935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).