N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride

C30H50ClN — CID 174059357

IUPACN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
SMILESCCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl
InChIInChI=1S/C30H49N.ClH/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29;/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3;1H
InChIKeyGTZJKVFDXYNGCS-UHFFFAOYSA-N
MW460.19 g/mol
LogP9.61
Rot. Bonds19

About N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride

N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride (PubChem CID 174059357) has the molecular formula C30H50ClN and a molecular weight of 460.19 g/mol. Its IUPAC name is N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
PubChem CID174059357
Molecular FormulaC30H50ClN
Molecular Weight460.19 g/mol
Exact Mass459.36
IUPAC NameN,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
SMILESCCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl
InChIInChI=1S/C30H49N.ClH/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29;/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3;1H
InChIKeyGTZJKVFDXYNGCS-UHFFFAOYSA-N
XLogP9.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-16-naphthalen-1-ylhexadecan-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

N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
1-tetradecylnaphthalene
CID 14402128
1-butylnaphthalene;ethane
CID 142087052
N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
potassium;hydride;1-octylnaphthalene
CID 173443599
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The IUPAC name of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride (CID 174059357) is N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride is CCN(CC)CCCCCCCCCCCCCCCCc1cccc2ccccc12.Cl.
What is the InChIKey of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
The InChIKey is GTZJKVFDXYNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N.ClH/c1-3-31(4-2)27-20-16-14-12-10-8-6-5-7-9-11-13-15-17-22-28-24-21-25-29-23-18-19-26-30(28)29;/h18-19,21,23-26H,3-17,20,22,27H2,1-2H3;1H.
What are the key properties of N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride?
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride has a molecular weight of 460.19 g/mol, XLogP of 9.61, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride is sourced from PubChem (CID 174059357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).