N-benzylnonadecan-2-amine;hydrochloride

C26H48ClN — CID 173191574

IUPACN-benzylnonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)NCc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26;/h17,19-20,22-23,25,27H,3-16,18,21,24H2,1-2H3;1H
InChIKeyFCOGDDHWJLHIBN-UHFFFAOYSA-N
MW410.13 g/mol
LogP8.85
Rot. Bonds19

About N-benzylnonadecan-2-amine;hydrochloride

N-benzylnonadecan-2-amine;hydrochloride (PubChem CID 173191574) has the molecular formula C26H48ClN and a molecular weight of 410.13 g/mol. Its IUPAC name is N-benzylnonadecan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzylnonadecan-2-amine;hydrochloride
PubChem CID173191574
Molecular FormulaC26H48ClN
Molecular Weight410.13 g/mol
Exact Mass409.35
IUPAC NameN-benzylnonadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(C)NCc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26;/h17,19-20,22-23,25,27H,3-16,18,21,24H2,1-2H3;1H
InChIKeyFCOGDDHWJLHIBN-UHFFFAOYSA-N
XLogP8.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 58.85
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

(2R)-N-benzylheptan-2-amine
CID 14923313
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CID 166644944
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
4-(benzylamino)pentan-1-ol
CID 75356500
1-N'-benzyl-1-N-ethyloctane-1,1-diamine
CID 170086019
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
3-[(octan-2-ylamino)methyl]benzonitrile
CID 43230027
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766

Frequently Asked Questions

What is the IUPAC name of N-benzylnonadecan-2-amine;hydrochloride?
The IUPAC name of N-benzylnonadecan-2-amine;hydrochloride (CID 173191574) is N-benzylnonadecan-2-amine;hydrochloride.
What is the SMILES notation for N-benzylnonadecan-2-amine;hydrochloride?
The canonical SMILES for N-benzylnonadecan-2-amine;hydrochloride is CCCCCCCCCCCCCCCCCC(C)NCc1ccccc1.Cl.
What is the InChIKey of N-benzylnonadecan-2-amine;hydrochloride?
The InChIKey is FCOGDDHWJLHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26;/h17,19-20,22-23,25,27H,3-16,18,21,24H2,1-2H3;1H.
What are the key properties of N-benzylnonadecan-2-amine;hydrochloride?
N-benzylnonadecan-2-amine;hydrochloride has a molecular weight of 410.13 g/mol, XLogP of 8.85, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylnonadecan-2-amine;hydrochloride is sourced from PubChem (CID 173191574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).