4,4-diphenyl-N-propylcyclohexan-1-amine

C21H27N — CID 154370118

IUPAC4,4-diphenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H27N/c1-2-17-22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,2,13-17H2,1H3
InChIKeyIILRPXYGCXPJOI-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.91
Rot. Bonds5

About 4,4-diphenyl-N-propylcyclohexan-1-amine

4,4-diphenyl-N-propylcyclohexan-1-amine (PubChem CID 154370118) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4,4-diphenyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-diphenyl-N-propylcyclohexan-1-amine
PubChem CID154370118
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4,4-diphenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H27N/c1-2-17-22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,2,13-17H2,1H3
InChIKeyIILRPXYGCXPJOI-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
N-tert-butyl-4,4-diphenylcyclohexan-1-amine;methanesulfonic acid
CID 15295731
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
CID 114333026
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
1-ethyl-3-(1-phenylcyclopropyl)benzene
CID 142848757

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4,4-diphenyl-N-propylcyclohexan-1-amine (CID 154370118) is 4,4-diphenyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4,4-diphenyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4,4-diphenyl-N-propylcyclohexan-1-amine is CCCNC1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 4,4-diphenyl-N-propylcyclohexan-1-amine?
The InChIKey is IILRPXYGCXPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-2-17-22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,2,13-17H2,1H3.
What are the key properties of 4,4-diphenyl-N-propylcyclohexan-1-amine?
4,4-diphenyl-N-propylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 154370118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).