4-methoxycyclohex-3-en-1-amine

C7H13NO — CID 89153912

IUPAC4-methoxycyclohex-3-en-1-amine
SMILESCOC1=CCC(N)CC1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5,8H2,1H3
InChIKeyQMIFJCQPXRGKIZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds1

About 4-methoxycyclohex-3-en-1-amine

4-methoxycyclohex-3-en-1-amine (PubChem CID 89153912) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methoxycyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-methoxycyclohex-3-en-1-amine
PubChem CID89153912
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methoxycyclohex-3-en-1-amine
SMILESCOC1=CCC(N)CC1
InChIInChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5,8H2,1H3
InChIKeyQMIFJCQPXRGKIZ-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

4-(Trifluoromethoxy)cyclohex-3-en-1-amine
CID 89154044
4-Aminocyclohexen-1-ol
CID 68200175
6-Amino-3-methoxycyclohex-3-ene-1-thiol
CID 88574749
4-Cyclopentyloxycyclohex-3-en-1-amine
CID 89154038
2-Imino-4-methoxycyclohex-3-en-1-amine
CID 91107376
6-Amino-3-methoxycyclohex-2-ene-1-thione
CID 123529249
4-(Cyclohexen-1-yloxy)butan-1-amine
CID 140189740
4-Ethoxycyclohex-3-en-1-amine
CID 142399307
(E)-6-methoxynon-6-en-1-amine
CID 143414744
3-Methoxycyclohex-3-en-1-amine
CID 147827210
(4-Aminocyclohexen-1-yl)oxidanium
CID 163964844
4-Methoxycyclohex-3-ene-1,2-diamine
CID 164100195

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohex-3-en-1-amine?
The IUPAC name of 4-methoxycyclohex-3-en-1-amine (CID 89153912) is 4-methoxycyclohex-3-en-1-amine.
What is the SMILES notation for 4-methoxycyclohex-3-en-1-amine?
The canonical SMILES for 4-methoxycyclohex-3-en-1-amine is COC1=CCC(N)CC1.
What is the InChIKey of 4-methoxycyclohex-3-en-1-amine?
The InChIKey is QMIFJCQPXRGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-4-2-6(8)3-5-7/h4,6H,2-3,5,8H2,1H3.
What are the key properties of 4-methoxycyclohex-3-en-1-amine?
4-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 4-methoxycyclohex-3-en-1-amine is sourced from PubChem (CID 89153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).