N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine

C27H36N2 — CID 70589352

IUPACN,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
SMILESCCCCCCN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C6H15N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-2-3-4-5-6-7/h1-15H,16-18H2;2-7H2,1H3
InChIKeyGJIZFPOAYLCRFY-UHFFFAOYSA-N
MW388.60 g/mol
LogP6.41
Rot. Bonds10

About N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine

N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine (PubChem CID 70589352) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
PubChem CID70589352
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC NameN,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
SMILESCCCCCCN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C6H15N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-2-3-4-5-6-7/h1-15H,16-18H2;2-7H2,1H3
InChIKeyGJIZFPOAYLCRFY-UHFFFAOYSA-N
XLogP6.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-propylhexan-1-amine
CID 123983090
butan-1-amine;dodecylbenzene
CID 158824240
benzene;octadecan-1-amine
CID 175562752
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
hexadecan-1-amine;phenol
CID 175347138
benzene-1,2-diamine;decan-1-amine
CID 174921659
2-[benzyl(nonyl)amino]ethanol
CID 63469962
(Z)-octadec-9-en-1-amine;phenylmethanamine
CID 68964749

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine?
The IUPAC name of N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine (CID 70589352) is N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine.
What is the SMILES notation for N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine?
The canonical SMILES for N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine is CCCCCCN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine?
The InChIKey is GJIZFPOAYLCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.C6H15N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-2-3-4-5-6-7/h1-15H,16-18H2;2-7H2,1H3.
What are the key properties of N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine?
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine has a molecular weight of 388.60 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine is sourced from PubChem (CID 70589352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).