N-benzyltridecan-6-amine

C20H35N — CID 166644944

IUPACN-benzyltridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCc1ccccc1
InChIInChI=1S/C20H35N/c1-3-5-7-8-13-17-20(16-10-6-4-2)21-18-19-14-11-9-12-15-19/h9,11-12,14-15,20-21H,3-8,10,13,16-18H2,1-2H3
InChIKeyONGZUUOOJAWSHX-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.09
Rot. Bonds13

About N-benzyltridecan-6-amine

N-benzyltridecan-6-amine (PubChem CID 166644944) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-benzyltridecan-6-amine.

Molecular Properties

Compound NameN-benzyltridecan-6-amine
PubChem CID166644944
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-benzyltridecan-6-amine
SMILESCCCCCCCC(CCCCC)NCc1ccccc1
InChIInChI=1S/C20H35N/c1-3-5-7-8-13-17-20(16-10-6-4-2)21-18-19-14-11-9-12-15-19/h9,11-12,14-15,20-21H,3-8,10,13,16-18H2,1-2H3
InChIKeyONGZUUOOJAWSHX-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.09
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

N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
2-N-benzylhexane-1,2-diamine
CID 65385282
(2R)-N-benzylheptan-2-amine
CID 14923313
1-N'-benzyl-1-N-ethyloctane-1,1-diamine
CID 170086019
2-(benzylamino)nonanoic acid
CID 54889620
N-methyl-1-phenyldecan-2-amine
CID 63412341
N-tridecan-6-ylaniline
CID 151143089
(2S,3S,4R)-4-(benzylamino)octadecane-1,2,3-triol
CID 56653266
N-benzyl-2-methylicosan-1-amine
CID 67811057
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
1-(benzylamino)octan-2-ol
CID 71341698

Frequently Asked Questions

What is the IUPAC name of N-benzyltridecan-6-amine?
The IUPAC name of N-benzyltridecan-6-amine (CID 166644944) is N-benzyltridecan-6-amine.
What is the SMILES notation for N-benzyltridecan-6-amine?
The canonical SMILES for N-benzyltridecan-6-amine is CCCCCCCC(CCCCC)NCc1ccccc1.
What is the InChIKey of N-benzyltridecan-6-amine?
The InChIKey is ONGZUUOOJAWSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-3-5-7-8-13-17-20(16-10-6-4-2)21-18-19-14-11-9-12-15-19/h9,11-12,14-15,20-21H,3-8,10,13,16-18H2,1-2H3.
What are the key properties of N-benzyltridecan-6-amine?
N-benzyltridecan-6-amine has a molecular weight of 289.51 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyltridecan-6-amine is sourced from PubChem (CID 166644944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).