3-decyltridecan-2-amine;hydrochloride

C23H50ClN — CID 173130271

IUPAC3-decyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCC(CCCCCCCCCC)C(C)N.Cl
InChIInChI=1S/C23H49N.ClH/c1-4-6-8-10-12-14-16-18-20-23(22(3)24)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21,24H2,1-3H3;1H
InChIKeyBMUBQGFCWARLOL-UHFFFAOYSA-N
MW376.11 g/mol
LogP8.43
Rot. Bonds19

About 3-decyltridecan-2-amine;hydrochloride

3-decyltridecan-2-amine;hydrochloride (PubChem CID 173130271) has the molecular formula C23H50ClN and a molecular weight of 376.11 g/mol. Its IUPAC name is 3-decyltridecan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-decyltridecan-2-amine;hydrochloride
PubChem CID173130271
Molecular FormulaC23H50ClN
Molecular Weight376.11 g/mol
Exact Mass375.36
IUPAC Name3-decyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCC(CCCCCCCCCC)C(C)N.Cl
InChIInChI=1S/C23H49N.ClH/c1-4-6-8-10-12-14-16-18-20-23(22(3)24)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21,24H2,1-3H3;1H
InChIKeyBMUBQGFCWARLOL-UHFFFAOYSA-N
XLogP8.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 58.43
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

dodecan-2-amine;hydrochloride
CID 86195878
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
3-ethylheptan-2-amine
CID 61000696
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
(2S)-nonadecan-2-amine
CID 94864909

Frequently Asked Questions

What is the IUPAC name of 3-decyltridecan-2-amine;hydrochloride?
The IUPAC name of 3-decyltridecan-2-amine;hydrochloride (CID 173130271) is 3-decyltridecan-2-amine;hydrochloride.
What is the SMILES notation for 3-decyltridecan-2-amine;hydrochloride?
The canonical SMILES for 3-decyltridecan-2-amine;hydrochloride is CCCCCCCCCCC(CCCCCCCCCC)C(C)N.Cl.
What is the InChIKey of 3-decyltridecan-2-amine;hydrochloride?
The InChIKey is BMUBQGFCWARLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N.ClH/c1-4-6-8-10-12-14-16-18-20-23(22(3)24)21-19-17-15-13-11-9-7-5-2;/h22-23H,4-21,24H2,1-3H3;1H.
What are the key properties of 3-decyltridecan-2-amine;hydrochloride?
3-decyltridecan-2-amine;hydrochloride has a molecular weight of 376.11 g/mol, XLogP of 8.43, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyltridecan-2-amine;hydrochloride is sourced from PubChem (CID 173130271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).