N,N-dibenzhydrylcyclohexanamine

C32H33N — CID 139723956

IUPACN,N-dibenzhydrylcyclohexanamine
SMILESc1ccc(C(c2ccccc2)N(C2CCCCC2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33N/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-32H,5,14-15,24-25H2
InChIKeyHBUHRQWAGLINIF-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.20
Rot. Bonds7

About N,N-dibenzhydrylcyclohexanamine

N,N-dibenzhydrylcyclohexanamine (PubChem CID 139723956) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is N,N-dibenzhydrylcyclohexanamine.

Molecular Properties

Compound NameN,N-dibenzhydrylcyclohexanamine
PubChem CID139723956
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC NameN,N-dibenzhydrylcyclohexanamine
SMILESc1ccc(C(c2ccccc2)N(C2CCCCC2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H33N/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-32H,5,14-15,24-25H2
InChIKeyHBUHRQWAGLINIF-UHFFFAOYSA-N
XLogP8.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[benzhydryl(cyclooctyl)amino]phosphonous acid
CID 118941449
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
N-cyclopentyl-N-[(dicyclopentylamino)-phenylsilyl]cyclopentanamine
CID 123155906
4-(dicyclohexylamino)-1-phenylbut-2-yn-1-ol
CID 101372468
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
(2,2-dicyclohexyl-1-phenylethyl)phosphane
CID 91484013
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
(R)-cycloheptyl(phenyl)methanol
CID 94502427
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
cyclohexyl(phenyl)methanamine
CID 11064121

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzhydrylcyclohexanamine?
The IUPAC name of N,N-dibenzhydrylcyclohexanamine (CID 139723956) is N,N-dibenzhydrylcyclohexanamine.
What is the SMILES notation for N,N-dibenzhydrylcyclohexanamine?
The canonical SMILES for N,N-dibenzhydrylcyclohexanamine is c1ccc(C(c2ccccc2)N(C2CCCCC2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dibenzhydrylcyclohexanamine?
The InChIKey is HBUHRQWAGLINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)33(30-24-14-5-15-25-30)32(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-32H,5,14-15,24-25H2.
What are the key properties of N,N-dibenzhydrylcyclohexanamine?
N,N-dibenzhydrylcyclohexanamine has a molecular weight of 431.62 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzhydrylcyclohexanamine is sourced from PubChem (CID 139723956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).