1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride

C29H48ClN — CID 174059373

IUPAC1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(N)c1c(CCC)ccc2ccccc12.Cl
InChIInChI=1S/C29H47N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-28(30)29-26(19-4-2)24-23-25-20-17-18-21-27(25)29;/h17-18,20-21,23-24,28H,3-16,19,22,30H2,1-2H3;1H
InChIKeyAJWCMCJNYSDJHV-UHFFFAOYSA-N
MW446.16 g/mol
LogP9.70
Rot. Bonds17

About 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride

1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride (PubChem CID 174059373) has the molecular formula C29H48ClN and a molecular weight of 446.16 g/mol. Its IUPAC name is 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
PubChem CID174059373
Molecular FormulaC29H48ClN
Molecular Weight446.16 g/mol
Exact Mass445.35
IUPAC Name1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(N)c1c(CCC)ccc2ccccc12.Cl
InChIInChI=1S/C29H47N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-28(30)29-26(19-4-2)24-23-25-20-17-18-21-27(25)29;/h17-18,20-21,23-24,28H,3-16,19,22,30H2,1-2H3;1H
InChIKeyAJWCMCJNYSDJHV-UHFFFAOYSA-N
XLogP9.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.16
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride 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

1-(2,3-dimethylnaphthalen-1-yl)tetradecan-1-amine;hydrochloride
CID 174059306
1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
CID 21316064
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
1-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
1-(2,3-diethylnaphthalen-1-yl)octan-1-amine;hydrate
CID 173447879
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-quinolin-2-yloctan-1-amine
CID 63222846
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
heptane;phenanthrene
CID 157482146
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
2-undecylnaphthalen-1-ol
CID 139729579

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride?
The IUPAC name of 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride (CID 174059373) is 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCC(N)c1c(CCC)ccc2ccccc12.Cl.
What is the InChIKey of 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride?
The InChIKey is AJWCMCJNYSDJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-28(30)29-26(19-4-2)24-23-25-20-17-18-21-27(25)29;/h17-18,20-21,23-24,28H,3-16,19,22,30H2,1-2H3;1H.
What are the key properties of 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride?
1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride has a molecular weight of 446.16 g/mol, XLogP of 9.70, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride is sourced from PubChem (CID 174059373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).