7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride

C24H52ClN — CID 173284262

IUPAC7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
SMILESCCCCCCCCCC(CCCCCC)(CCCCCC)N(C)C.Cl
InChIInChI=1S/C24H51N.ClH/c1-6-9-12-15-16-17-20-23-24(25(4)5,21-18-13-10-7-2)22-19-14-11-8-3;/h6-23H2,1-5H3;1H
InChIKeyHZQFAIKFUBELJN-UHFFFAOYSA-N
MW390.14 g/mol
LogP8.79
Rot. Bonds19

About 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride

7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride (PubChem CID 173284262) has the molecular formula C24H52ClN and a molecular weight of 390.14 g/mol. Its IUPAC name is 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride.

Molecular Properties

Compound Name7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
PubChem CID173284262
Molecular FormulaC24H52ClN
Molecular Weight390.14 g/mol
Exact Mass389.38
IUPAC Name7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
SMILESCCCCCCCCCC(CCCCCC)(CCCCCC)N(C)C.Cl
InChIInChI=1S/C24H51N.ClH/c1-6-9-12-15-16-17-20-23-24(25(4)5,21-18-13-10-7-2)22-19-14-11-8-3;/h6-23H2,1-5H3;1H
InChIKeyHZQFAIKFUBELJN-UHFFFAOYSA-N
XLogP8.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 58.79
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

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CID 175528933
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CID 57269512
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
21-nonyl-N,N-dipropylhentetracontan-21-amine
CID 155011902
1,1-dichloro-N,N-dimethyloctan-1-amine
CID 175456302
2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
N,N,3-triethyldodecan-3-amine
CID 150961559
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650
N,N-dimethylmethanamine;tridecane
CID 174432259
bis(heptane);hydrochloride
CID 160833718
icosane;tetrahydrochloride
CID 143212018

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride?
The IUPAC name of 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride (CID 173284262) is 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride.
What is the SMILES notation for 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride?
The canonical SMILES for 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride is CCCCCCCCCC(CCCCCC)(CCCCCC)N(C)C.Cl.
What is the InChIKey of 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride?
The InChIKey is HZQFAIKFUBELJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.ClH/c1-6-9-12-15-16-17-20-23-24(25(4)5,21-18-13-10-7-2)22-19-14-11-8-3;/h6-23H2,1-5H3;1H.
What are the key properties of 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride?
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride has a molecular weight of 390.14 g/mol, XLogP of 8.79, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride is sourced from PubChem (CID 173284262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).