(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine

C10H19NO — CID 131237418

IUPAC(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
SMILESCOC1(/C=C/CN)CCCCC1
InChIInChI=1S/C10H19NO/c1-12-10(8-5-9-11)6-3-2-4-7-10/h5,8H,2-4,6-7,9,11H2,1H3/b8-5+
InChIKeyMEUVEPVUQCCOGP-VMPITWQZSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine

(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine (PubChem CID 131237418) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
PubChem CID131237418
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
SMILESCOC1(/C=C/CN)CCCCC1
InChIInChI=1S/C10H19NO/c1-12-10(8-5-9-11)6-3-2-4-7-10/h5,8H,2-4,6-7,9,11H2,1H3/b8-5+
InChIKeyMEUVEPVUQCCOGP-VMPITWQZSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Methoxy-6-methylcyclohexen-1-yl)ethanamine
CID 163539644
(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine
CID 131237417
(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine
CID 131245888
(Z)-3-(1-methoxycyclohexyl)-2-methylprop-2-en-1-amine
CID 133669335

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine (CID 131237418) is (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine is COC1(/C=C/CN)CCCCC1.
What is the InChIKey of (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine?
The InChIKey is MEUVEPVUQCCOGP-VMPITWQZSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-10(8-5-9-11)6-3-2-4-7-10/h5,8H,2-4,6-7,9,11H2,1H3/b8-5+.
What are the key properties of (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine?
(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine is sourced from PubChem (CID 131237418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).