(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine

C11H19N — CID 67319368

IUPAC(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
SMILESCC1=CCC(/C(C)=C\CN)CC1
InChIInChI=1S/C11H19N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,7,11H,4-6,8,12H2,1-2H3/b10-7-
InChIKeyNXVHJIVMNNJQPU-YFHOEESVSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds2

About (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine

(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine (PubChem CID 67319368) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
PubChem CID67319368
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
SMILESCC1=CCC(/C(C)=C\CN)CC1
InChIInChI=1S/C11H19N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,7,11H,4-6,8,12H2,1-2H3/b10-7-
InChIKeyNXVHJIVMNNJQPU-YFHOEESVSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine?
The IUPAC name of (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine (CID 67319368) is (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine is CC1=CCC(/C(C)=C\CN)CC1.
What is the InChIKey of (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine?
The InChIKey is NXVHJIVMNNJQPU-YFHOEESVSA-N. The full InChI is InChI=1S/C11H19N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,7,11H,4-6,8,12H2,1-2H3/b10-7-.
What are the key properties of (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine?
(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine is sourced from PubChem (CID 67319368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).