18-methylnonadecan-1-amine;hydrochloride

C20H44ClN — CID 173047380

IUPAC18-methylnonadecan-1-amine;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCN.Cl
InChIInChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21;/h20H,3-19,21H2,1-2H3;1H
InChIKeyVQUOKOYUKCLFEP-UHFFFAOYSA-N
MW334.03 g/mol
LogP7.26
Rot. Bonds17

About 18-methylnonadecan-1-amine;hydrochloride

18-methylnonadecan-1-amine;hydrochloride (PubChem CID 173047380) has the molecular formula C20H44ClN and a molecular weight of 334.03 g/mol. Its IUPAC name is 18-methylnonadecan-1-amine;hydrochloride.

Molecular Properties

Compound Name18-methylnonadecan-1-amine;hydrochloride
PubChem CID173047380
Molecular FormulaC20H44ClN
Molecular Weight334.03 g/mol
Exact Mass333.32
IUPAC Name18-methylnonadecan-1-amine;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCN.Cl
InChIInChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21;/h20H,3-19,21H2,1-2H3;1H
InChIKeyVQUOKOYUKCLFEP-UHFFFAOYSA-N
XLogP7.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.03
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

36-methylheptatriacontan-1-amine
CID 134324173
benzene;5-methylhexan-1-amine
CID 174722076
(Z)-20-methylhenicos-9-en-1-amine
CID 139899132
22-methyltricos-13-en-1-amine
CID 172998015
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of 18-methylnonadecan-1-amine;hydrochloride?
The IUPAC name of 18-methylnonadecan-1-amine;hydrochloride (CID 173047380) is 18-methylnonadecan-1-amine;hydrochloride.
What is the SMILES notation for 18-methylnonadecan-1-amine;hydrochloride?
The canonical SMILES for 18-methylnonadecan-1-amine;hydrochloride is CC(C)CCCCCCCCCCCCCCCCCN.Cl.
What is the InChIKey of 18-methylnonadecan-1-amine;hydrochloride?
The InChIKey is VQUOKOYUKCLFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21;/h20H,3-19,21H2,1-2H3;1H.
What are the key properties of 18-methylnonadecan-1-amine;hydrochloride?
18-methylnonadecan-1-amine;hydrochloride has a molecular weight of 334.03 g/mol, XLogP of 7.26, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadecan-1-amine;hydrochloride is sourced from PubChem (CID 173047380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).