(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine

C12H23NO — CID 138563747

IUPAC(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNC/C=C/C1CCCCC1
InChIInChI=1S/C12H23NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3/b8-5+
InChIKeyKGIAELWDPLIJAJ-VMPITWQZSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds6

About (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine

(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 138563747) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID138563747
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNC/C=C/C1CCCCC1
InChIInChI=1S/C12H23NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3/b8-5+
InChIKeyKGIAELWDPLIJAJ-VMPITWQZSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine (CID 138563747) is (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine is COCCNC/C=C/C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is KGIAELWDPLIJAJ-VMPITWQZSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h5,8,12-13H,2-4,6-7,9-11H2,1H3/b8-5+.
What are the key properties of (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine?
(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 138563747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).