N,N-dibenzylnonan-1-amine;hydrochloride

C23H34ClN — CID 173190892

IUPACN,N-dibenzylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C23H33N.ClH/c1-2-3-4-5-6-7-14-19-24(20-22-15-10-8-11-16-22)21-23-17-12-9-13-18-23;/h8-13,15-18H,2-7,14,19-21H2,1H3;1H
InChIKeyUJBMMRCMQDEUEB-UHFFFAOYSA-N
MW359.98 g/mol
LogP6.86
Rot. Bonds12

About N,N-dibenzylnonan-1-amine;hydrochloride

N,N-dibenzylnonan-1-amine;hydrochloride (PubChem CID 173190892) has the molecular formula C23H34ClN and a molecular weight of 359.98 g/mol. Its IUPAC name is N,N-dibenzylnonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dibenzylnonan-1-amine;hydrochloride
PubChem CID173190892
Molecular FormulaC23H34ClN
Molecular Weight359.98 g/mol
Exact Mass359.24
IUPAC NameN,N-dibenzylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C23H33N.ClH/c1-2-3-4-5-6-7-14-19-24(20-22-15-10-8-11-16-22)21-23-17-12-9-13-18-23;/h8-13,15-18H,2-7,14,19-21H2,1H3;1H
InChIKeyUJBMMRCMQDEUEB-UHFFFAOYSA-N
XLogP6.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.98
LogP ≤ 56.86
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 11508874
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N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylnonan-1-amine;hydrochloride?
The IUPAC name of N,N-dibenzylnonan-1-amine;hydrochloride (CID 173190892) is N,N-dibenzylnonan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dibenzylnonan-1-amine;hydrochloride?
The canonical SMILES for N,N-dibenzylnonan-1-amine;hydrochloride is CCCCCCCCCN(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dibenzylnonan-1-amine;hydrochloride?
The InChIKey is UJBMMRCMQDEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N.ClH/c1-2-3-4-5-6-7-14-19-24(20-22-15-10-8-11-16-22)21-23-17-12-9-13-18-23;/h8-13,15-18H,2-7,14,19-21H2,1H3;1H.
What are the key properties of N,N-dibenzylnonan-1-amine;hydrochloride?
N,N-dibenzylnonan-1-amine;hydrochloride has a molecular weight of 359.98 g/mol, XLogP of 6.86, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylnonan-1-amine;hydrochloride is sourced from PubChem (CID 173190892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).