N,N,20-trimethylhenicosan-1-amine;hydrochloride

C24H52ClN — CID 173055097

IUPACN,N,20-trimethylhenicosan-1-amine;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C24H51N.ClH/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4;/h24H,5-23H2,1-4H3;1H
InChIKeyCTIIELQCBBRWQT-UHFFFAOYSA-N
MW390.14 g/mol
LogP8.65
Rot. Bonds20

About N,N,20-trimethylhenicosan-1-amine;hydrochloride

N,N,20-trimethylhenicosan-1-amine;hydrochloride (PubChem CID 173055097) has the molecular formula C24H52ClN and a molecular weight of 390.14 g/mol. Its IUPAC name is N,N,20-trimethylhenicosan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N,20-trimethylhenicosan-1-amine;hydrochloride
PubChem CID173055097
Molecular FormulaC24H52ClN
Molecular Weight390.14 g/mol
Exact Mass389.38
IUPAC NameN,N,20-trimethylhenicosan-1-amine;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C24H51N.ClH/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4;/h24H,5-23H2,1-4H3;1H
InChIKeyCTIIELQCBBRWQT-UHFFFAOYSA-N
XLogP8.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,20-trimethylhenicosan-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-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
1-[methyl(7-methyloctyl)amino]propane-2-thiol
CID 167242613

Frequently Asked Questions

What is the IUPAC name of N,N,20-trimethylhenicosan-1-amine;hydrochloride?
The IUPAC name of N,N,20-trimethylhenicosan-1-amine;hydrochloride (CID 173055097) is N,N,20-trimethylhenicosan-1-amine;hydrochloride.
What is the SMILES notation for N,N,20-trimethylhenicosan-1-amine;hydrochloride?
The canonical SMILES for N,N,20-trimethylhenicosan-1-amine;hydrochloride is CC(C)CCCCCCCCCCCCCCCCCCCN(C)C.Cl.
What is the InChIKey of N,N,20-trimethylhenicosan-1-amine;hydrochloride?
The InChIKey is CTIIELQCBBRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.ClH/c1-24(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25(3)4;/h24H,5-23H2,1-4H3;1H.
What are the key properties of N,N,20-trimethylhenicosan-1-amine;hydrochloride?
N,N,20-trimethylhenicosan-1-amine;hydrochloride has a molecular weight of 390.14 g/mol, XLogP of 8.65, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,20-trimethylhenicosan-1-amine;hydrochloride is sourced from PubChem (CID 173055097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).