(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine

C11H21N — CID 12772304

IUPAC(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/C1CCCCC1
InChIInChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+
InChIKeyYWVJPNWQHKHZCZ-RMKNXTFCSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine

(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine (PubChem CID 12772304) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine
PubChem CID12772304
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/C1CCCCC1
InChIInChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+
InChIKeyYWVJPNWQHKHZCZ-RMKNXTFCSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine (CID 12772304) is (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C/C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine?
The InChIKey is YWVJPNWQHKHZCZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H21N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h6,9,11H,3-5,7-8,10H2,1-2H3/b9-6+.
What are the key properties of (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine?
(E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 12772304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).