(4-methoxycyclohex-3-en-1-yl)methanamine

C8H15NO — CID 53231493

IUPAC(4-methoxycyclohex-3-en-1-yl)methanamine
SMILESCOC1=CCC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyOHIGCEWYHSKPEA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.28
Rot. Bonds2

About (4-methoxycyclohex-3-en-1-yl)methanamine

(4-methoxycyclohex-3-en-1-yl)methanamine (PubChem CID 53231493) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4-methoxycyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methoxycyclohex-3-en-1-yl)methanamine
PubChem CID53231493
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4-methoxycyclohex-3-en-1-yl)methanamine
SMILESCOC1=CCC(CN)CC1
InChIInChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyOHIGCEWYHSKPEA-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohex-3-en-1-yl)methanamine?
The IUPAC name of (4-methoxycyclohex-3-en-1-yl)methanamine (CID 53231493) is (4-methoxycyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for (4-methoxycyclohex-3-en-1-yl)methanamine?
The canonical SMILES for (4-methoxycyclohex-3-en-1-yl)methanamine is COC1=CCC(CN)CC1.
What is the InChIKey of (4-methoxycyclohex-3-en-1-yl)methanamine?
The InChIKey is OHIGCEWYHSKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5-6,9H2,1H3.
What are the key properties of (4-methoxycyclohex-3-en-1-yl)methanamine?
(4-methoxycyclohex-3-en-1-yl)methanamine has a molecular weight of 141.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 53231493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).