N,N,11-trimethylpentacosan-13-amine;hydrochloride

C28H60ClN — CID 173231447

IUPACN,N,11-trimethylpentacosan-13-amine;hydrochloride
SMILESCCCCCCCCCCCCC(CC(C)CCCCCCCCCC)N(C)C.Cl
InChIInChI=1S/C28H59N.ClH/c1-6-8-10-12-14-16-17-19-21-23-25-28(29(4)5)26-27(3)24-22-20-18-15-13-11-9-7-2;/h27-28H,6-26H2,1-5H3;1H
InChIKeyNJNHBPYXBWSGJQ-UHFFFAOYSA-N
MW446.25 g/mol
LogP10.21
Rot. Bonds23

About N,N,11-trimethylpentacosan-13-amine;hydrochloride

N,N,11-trimethylpentacosan-13-amine;hydrochloride (PubChem CID 173231447) has the molecular formula C28H60ClN and a molecular weight of 446.25 g/mol. Its IUPAC name is N,N,11-trimethylpentacosan-13-amine;hydrochloride.

Molecular Properties

Compound NameN,N,11-trimethylpentacosan-13-amine;hydrochloride
PubChem CID173231447
Molecular FormulaC28H60ClN
Molecular Weight446.25 g/mol
Exact Mass445.44
IUPAC NameN,N,11-trimethylpentacosan-13-amine;hydrochloride
SMILESCCCCCCCCCCCCC(CC(C)CCCCCCCCCC)N(C)C.Cl
InChIInChI=1S/C28H59N.ClH/c1-6-8-10-12-14-16-17-19-21-23-25-28(29(4)5)26-27(3)24-22-20-18-15-13-11-9-7-2;/h27-28H,6-26H2,1-5H3;1H
InChIKeyNJNHBPYXBWSGJQ-UHFFFAOYSA-N
XLogP10.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 510.21
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

(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
6,8-dimethylhexadecane
CID 91185725
2,4-dimethyltetradecane
CID 53423723
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
(4S)-2,4-dimethylicosane
CID 134952934
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406

Frequently Asked Questions

What is the IUPAC name of N,N,11-trimethylpentacosan-13-amine;hydrochloride?
The IUPAC name of N,N,11-trimethylpentacosan-13-amine;hydrochloride (CID 173231447) is N,N,11-trimethylpentacosan-13-amine;hydrochloride.
What is the SMILES notation for N,N,11-trimethylpentacosan-13-amine;hydrochloride?
The canonical SMILES for N,N,11-trimethylpentacosan-13-amine;hydrochloride is CCCCCCCCCCCCC(CC(C)CCCCCCCCCC)N(C)C.Cl.
What is the InChIKey of N,N,11-trimethylpentacosan-13-amine;hydrochloride?
The InChIKey is NJNHBPYXBWSGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.ClH/c1-6-8-10-12-14-16-17-19-21-23-25-28(29(4)5)26-27(3)24-22-20-18-15-13-11-9-7-2;/h27-28H,6-26H2,1-5H3;1H.
What are the key properties of N,N,11-trimethylpentacosan-13-amine;hydrochloride?
N,N,11-trimethylpentacosan-13-amine;hydrochloride has a molecular weight of 446.25 g/mol, XLogP of 10.21, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,11-trimethylpentacosan-13-amine;hydrochloride is sourced from PubChem (CID 173231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).