(4-methoxycyclohex-2-en-1-yl)methanamine

C8H15NO — CID 174928028

IUPAC(4-methoxycyclohex-2-en-1-yl)methanamine
SMILESCOC1C=CC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyOWZWKRDQUWSDEO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About (4-methoxycyclohex-2-en-1-yl)methanamine

(4-methoxycyclohex-2-en-1-yl)methanamine (PubChem CID 174928028) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4-methoxycyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methoxycyclohex-2-en-1-yl)methanamine
PubChem CID174928028
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4-methoxycyclohex-2-en-1-yl)methanamine
SMILESCOC1C=CC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyOWZWKRDQUWSDEO-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4-methoxycyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-methoxycyclohex-2-en-1-yl)methanamine (CID 174928028) is (4-methoxycyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-methoxycyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-methoxycyclohex-2-en-1-yl)methanamine is COC1C=CC(CN)CC1.
What is the InChIKey of (4-methoxycyclohex-2-en-1-yl)methanamine?
The InChIKey is OWZWKRDQUWSDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7-8H,3,5-6,9H2,1H3.
What are the key properties of (4-methoxycyclohex-2-en-1-yl)methanamine?
(4-methoxycyclohex-2-en-1-yl)methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 174928028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).