1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine

C20H31N — CID 117460035

IUPAC1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CCC(c2ccc(C3(N)CCC3)cc2)CC1
InChIInChI=1S/C20H31N/c1-19(2,3)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(21)13-4-14-20/h7-8,11-12,15,17H,4-6,9-10,13-14,21H2,1-3H3
InChIKeyJMVBCOFMUDFWPA-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.34
Rot. Bonds2

About 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine

1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine (PubChem CID 117460035) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
PubChem CID117460035
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CCC(c2ccc(C3(N)CCC3)cc2)CC1
InChIInChI=1S/C20H31N/c1-19(2,3)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(21)13-4-14-20/h7-8,11-12,15,17H,4-6,9-10,13-14,21H2,1-3H3
InChIKeyJMVBCOFMUDFWPA-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
CID 117334927
4-(4-tert-butylcyclohexyl)aniline
CID 141087341
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
1-[4-(thietan-3-yl)phenyl]cyclobutan-1-amine
CID 117313476
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
CID 117309769
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
3-[4-(4-tert-butylcyclohexyl)phenyl]-2-methylprop-2-enoic acid
CID 66903085
O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
CID 117441210
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine (CID 117460035) is 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine is CC(C)(C)C1CCC(c2ccc(C3(N)CCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine?
The InChIKey is JMVBCOFMUDFWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-19(2,3)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(21)13-4-14-20/h7-8,11-12,15,17H,4-6,9-10,13-14,21H2,1-3H3.
What are the key properties of 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine?
1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117460035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).