4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine

C11H19N — CID 163677765

IUPAC4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine
SMILESC=C=C(C)CC1CCC(N)CC1
InChIInChI=1S/C11H19N/c1-3-9(2)8-10-4-6-11(12)7-5-10/h10-11H,1,4-8,12H2,2H3
InChIKeyJIENBVYZJQPXHS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds2

About 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine

4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine (PubChem CID 163677765) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine
PubChem CID163677765
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine
SMILESC=C=C(C)CC1CCC(N)CC1
InChIInChI=1S/C11H19N/c1-3-9(2)8-10-4-6-11(12)7-5-10/h10-11H,1,4-8,12H2,2H3
InChIKeyJIENBVYZJQPXHS-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine (CID 163677765) is 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine is C=C=C(C)CC1CCC(N)CC1.
What is the InChIKey of 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine?
The InChIKey is JIENBVYZJQPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-9(2)8-10-4-6-11(12)7-5-10/h10-11H,1,4-8,12H2,2H3.
What are the key properties of 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine?
4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbuta-2,3-dienyl)cyclohexan-1-amine is sourced from PubChem (CID 163677765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).