N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride

C26H48ClN — CID 173450545

IUPACN,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCCCCCCCCCCc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-27(2)25-21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H
InChIKeyGZCLAMBDHAFMNC-UHFFFAOYSA-N
MW410.13 g/mol
LogP8.45
Rot. Bonds19

About N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride

N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride (PubChem CID 173450545) has the molecular formula C26H48ClN and a molecular weight of 410.13 g/mol. Its IUPAC name is N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
PubChem CID173450545
Molecular FormulaC26H48ClN
Molecular Weight410.13 g/mol
Exact Mass409.35
IUPAC NameN,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
SMILESCN(C)CCCCCCCCCCCCCCCCCCc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-27(2)25-21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H
InChIKeyGZCLAMBDHAFMNC-UHFFFAOYSA-N
XLogP8.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-diethyl-14-phenyltetradecan-1-amine;N,N-dimethyl-14-phenyltetradecan-1-amine;dihydrate
CID 173448155
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-dimethyl-13-phenyltridecan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929637
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
CID 173333887
N-[[3-[[3-(dimethylamino)propylamino]methyl]-2-(9-phenylnonyl)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;tetrahydrochloride
CID 139660818
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride (CID 173450545) is N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride is CN(C)CCCCCCCCCCCCCCCCCCc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride?
The InChIKey is GZCLAMBDHAFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N.ClH/c1-27(2)25-21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride?
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride has a molecular weight of 410.13 g/mol, XLogP of 8.45, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride is sourced from PubChem (CID 173450545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).