3-methoxycyclohex-3-en-1-amine

C7H13NO — CID 147827210

IUPAC3-methoxycyclohex-3-en-1-amine
SMILESCOC1=CCCC(N)C1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-3-6(8)5-7/h4,6H,2-3,5,8H2,1H3
InChIKeyHQJOCMATWCGQGW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds1

About 3-methoxycyclohex-3-en-1-amine

3-methoxycyclohex-3-en-1-amine (PubChem CID 147827210) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methoxycyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-methoxycyclohex-3-en-1-amine
PubChem CID147827210
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methoxycyclohex-3-en-1-amine
SMILESCOC1=CCCC(N)C1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-3-6(8)5-7/h4,6H,2-3,5,8H2,1H3
InChIKeyHQJOCMATWCGQGW-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Amino-3-methoxycyclohex-3-ene-1-thiol
CID 88574749
4-Methoxycyclohex-3-en-1-amine
CID 89153912
6-Amino-3-methoxycyclohex-2-ene-1-thione
CID 123529249
5-Aminocyclohexen-1-ol
CID 141536123
(Z)-6-methoxy-N-propyloct-6-en-4-amine
CID 141995083
4-Ethoxycyclohex-3-en-1-amine
CID 142399307
(E)-6-methoxynon-6-en-1-amine
CID 143414744
4-Methoxycyclohex-3-ene-1,2-diamine
CID 164100195
(1S)-3-methoxycyclopent-3-en-1-amine;hydrochloride
CID 169224270
(1R)-3-methoxycyclopent-3-en-1-amine;hydrochloride
CID 169224272
(1R)-3-methoxycyclopent-3-en-1-amine
CID 169224273
(1S)-3-methoxycyclopent-3-en-1-amine
CID 169224271

Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohex-3-en-1-amine?
The IUPAC name of 3-methoxycyclohex-3-en-1-amine (CID 147827210) is 3-methoxycyclohex-3-en-1-amine.
What is the SMILES notation for 3-methoxycyclohex-3-en-1-amine?
The canonical SMILES for 3-methoxycyclohex-3-en-1-amine is COC1=CCCC(N)C1.
What is the InChIKey of 3-methoxycyclohex-3-en-1-amine?
The InChIKey is HQJOCMATWCGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-4-2-3-6(8)5-7/h4,6H,2-3,5,8H2,1H3.
What are the key properties of 3-methoxycyclohex-3-en-1-amine?
3-methoxycyclohex-3-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohex-3-en-1-amine is sourced from PubChem (CID 147827210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).