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

C11H19N — CID 67951600

IUPAC(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine
SMILESCC(N)/C=C\C1CCC=C[C@H]1C
InChIInChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3,5,7-11H,4,6,12H2,1-2H3/b8-7-/t9-,10?,11?/m1/s1
InChIKeyMQJNMBTWOQHDEB-KWJNPUMISA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds2

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

(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine (PubChem CID 67951600) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine
PubChem CID67951600
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine
SMILESCC(N)/C=C\C1CCC=C[C@H]1C
InChIInChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3,5,7-11H,4,6,12H2,1-2H3/b8-7-/t9-,10?,11?/m1/s1
InChIKeyMQJNMBTWOQHDEB-KWJNPUMISA-N
XLogP2.49
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 ≤ 52.49
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)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine?
The IUPAC name of (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine (CID 67951600) is (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine.
What is the SMILES notation for (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine?
The canonical SMILES for (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine is CC(N)/C=C\C1CCC=C[C@H]1C.
What is the InChIKey of (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine?
The InChIKey is MQJNMBTWOQHDEB-KWJNPUMISA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3,5,7-11H,4,6,12H2,1-2H3/b8-7-/t9-,10?,11?/m1/s1.
What are the key properties of (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine?
(Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(2R)-2-methylcyclohex-3-en-1-yl]but-3-en-2-amine is sourced from PubChem (CID 67951600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).