N,N-dibenzyl-1-phenylmethanamine;hexane

C27H35N — CID 174855522

IUPACN,N-dibenzyl-1-phenylmethanamine;hexane
SMILESCCCCCC.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C6H14/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;1-3-5-6-4-2/h1-15H,16-18H2;3-6H2,1-2H3
InChIKeyYCBNBFKIILGDGD-UHFFFAOYSA-N
MW373.58 g/mol
LogP7.48
Rot. Bonds9

About N,N-dibenzyl-1-phenylmethanamine;hexane

N,N-dibenzyl-1-phenylmethanamine;hexane (PubChem CID 174855522) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is N,N-dibenzyl-1-phenylmethanamine;hexane.

Molecular Properties

Compound NameN,N-dibenzyl-1-phenylmethanamine;hexane
PubChem CID174855522
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC NameN,N-dibenzyl-1-phenylmethanamine;hexane
SMILESCCCCCC.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C6H14/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;1-3-5-6-4-2/h1-15H,16-18H2;3-6H2,1-2H3
InChIKeyYCBNBFKIILGDGD-UHFFFAOYSA-N
XLogP7.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 57.48
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

N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N,N-dibenzylpropan-1-amine
CID 10840212
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-phenylmethanamine;hexane?
The IUPAC name of N,N-dibenzyl-1-phenylmethanamine;hexane (CID 174855522) is N,N-dibenzyl-1-phenylmethanamine;hexane.
What is the SMILES notation for N,N-dibenzyl-1-phenylmethanamine;hexane?
The canonical SMILES for N,N-dibenzyl-1-phenylmethanamine;hexane is CCCCCC.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-1-phenylmethanamine;hexane?
The InChIKey is YCBNBFKIILGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.C6H14/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;1-3-5-6-4-2/h1-15H,16-18H2;3-6H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-phenylmethanamine;hexane?
N,N-dibenzyl-1-phenylmethanamine;hexane has a molecular weight of 373.58 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-phenylmethanamine;hexane is sourced from PubChem (CID 174855522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).