(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone

C17H25NO — CID 116557437

IUPAC(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H25NO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-5,8-9,13,15H,6-7,10-11,18H2,1-3H3
InChIKeyDPGIAJXAULGLDC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.68
Rot. Bonds2

About (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone

(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone (PubChem CID 116557437) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
PubChem CID116557437
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCC(N)CC2)cc1
InChIInChI=1S/C17H25NO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-5,8-9,13,15H,6-7,10-11,18H2,1-3H3
InChIKeyDPGIAJXAULGLDC-UHFFFAOYSA-N
XLogP3.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095
(4-tert-butylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941245
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
2-(4-tert-butylbenzoyl)cyclohexan-1-one
CID 67133289
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
2-[4-(cyclopropanecarbonyl)phenyl]sulfonyl-2-methylpropanoic acid
CID 82165183

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone (CID 116557437) is (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)C2CCC(N)CC2)cc1.
What is the InChIKey of (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone?
The InChIKey is DPGIAJXAULGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-5,8-9,13,15H,6-7,10-11,18H2,1-3H3.
What are the key properties of (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone?
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 116557437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).