6-methoxycyclohex-3-en-1-amine

C7H13NO — CID 163743001

IUPAC6-methoxycyclohex-3-en-1-amine
SMILESCOC1CC=CCC1N
InChIInChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h2-3,6-7H,4-5,8H2,1H3
InChIKeyLJKJYBLDMSLBKT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds1

About 6-methoxycyclohex-3-en-1-amine

6-methoxycyclohex-3-en-1-amine (PubChem CID 163743001) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-methoxycyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-methoxycyclohex-3-en-1-amine
PubChem CID163743001
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-methoxycyclohex-3-en-1-amine
SMILESCOC1CC=CCC1N
InChIInChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h2-3,6-7H,4-5,8H2,1H3
InChIKeyLJKJYBLDMSLBKT-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
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

N-(6-methoxycyclohex-3-en-1-yl)hydroxylamine
CID 15081075
6-Aminocyclohex-3-en-1-ol
CID 12380766
(1R,6S)-6-Aminocyclohex-3-en-1-ol
CID 12380767
(1S,6R)-6-aminocyclohex-3-en-1-ol
CID 55284922
1-(3,4-dihydro-2H-pyran-2-yl)ethanamine
CID 68776983
6-Methoxycyclohex-2-en-1-amine
CID 76223862
(1R)-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89087886
2-Cyclohex-3-en-1-yloxyethanamine
CID 89197318
5-Methoxycyclopent-2-en-1-amine
CID 123826273
N,N,1,4,5,5,6-heptadeuterio-6-methoxycyclohex-2-en-1-amine
CID 141756165
(2S)-2-cyclohex-3-en-1-yloxypropan-1-amine
CID 146437632
6-methoxy-N-methylcyclohex-2-en-1-amine
CID 147170948

Frequently Asked Questions

What is the IUPAC name of 6-methoxycyclohex-3-en-1-amine?
The IUPAC name of 6-methoxycyclohex-3-en-1-amine (CID 163743001) is 6-methoxycyclohex-3-en-1-amine.
What is the SMILES notation for 6-methoxycyclohex-3-en-1-amine?
The canonical SMILES for 6-methoxycyclohex-3-en-1-amine is COC1CC=CCC1N.
What is the InChIKey of 6-methoxycyclohex-3-en-1-amine?
The InChIKey is LJKJYBLDMSLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 6-methoxycyclohex-3-en-1-amine?
6-methoxycyclohex-3-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycyclohex-3-en-1-amine is sourced from PubChem (CID 163743001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).