4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine

C16H27N — CID 71043386

IUPAC4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine
SMILESCCC(C)C1=CCC(C2CCC(N)CC2)C=C1
InChIInChI=1S/C16H27N/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-6,12,14-16H,3,7-11,17H2,1-2H3
InChIKeyBIWMBDXGTPAHGX-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine

4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine (PubChem CID 71043386) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine
PubChem CID71043386
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine
SMILESCCC(C)C1=CCC(C2CCC(N)CC2)C=C1
InChIInChI=1S/C16H27N/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-6,12,14-16H,3,7-11,17H2,1-2H3
InChIKeyBIWMBDXGTPAHGX-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

poly(beta-D-mannuronate) lyase
CID 168356126
6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
CID 135225512
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine
CID 143049564
1-[4-(2-Fluoro-5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylideneheptan-2-amine
CID 144382024
4-[4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexyl]cyclohexan-1-amine
CID 144405277
4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexan-1-amine
CID 144405278
(10Z,13E)-10-[(Z)-1,2-difluoroethenyl]-5,6,9-trimethylpentadeca-10,13-dien-2-amine
CID 144405281
4-[4-(4-Fluorocyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohexan-1-amine
CID 146303729
4-[(3Z,5Z,6E,8Z)-5-ethylidene-8-fluoro-9-phosphanyl-6-[(Z)-prop-1-enyl]nona-3,6,8-trien-2-yl]cyclohexan-1-amine
CID 173802029
o-(Cyclohex-2-enyl)-2,5-xylidine
CID 129746736
o-Cyclo-dodecatrienyl-2,5-xylidine
CID 129816276

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine (CID 71043386) is 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine is CCC(C)C1=CCC(C2CCC(N)CC2)C=C1.
What is the InChIKey of 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine?
The InChIKey is BIWMBDXGTPAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h4-6,12,14-16H,3,7-11,17H2,1-2H3.
What are the key properties of 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine?
4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 71043386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).