2-(5-methoxycyclohexen-1-yl)ethanamine

C9H17NO — CID 91609641

IUPAC2-(5-methoxycyclohexen-1-yl)ethanamine
SMILESCOC1CCC=C(CCN)C1
InChIInChI=1S/C9H17NO/c1-11-9-4-2-3-8(7-9)5-6-10/h3,9H,2,4-7,10H2,1H3
InChIKeyBVFJPABISUXAKY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds3

About 2-(5-methoxycyclohexen-1-yl)ethanamine

2-(5-methoxycyclohexen-1-yl)ethanamine (PubChem CID 91609641) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(5-methoxycyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxycyclohexen-1-yl)ethanamine
PubChem CID91609641
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(5-methoxycyclohexen-1-yl)ethanamine
SMILESCOC1CCC=C(CCN)C1
InChIInChI=1S/C9H17NO/c1-11-9-4-2-3-8(7-9)5-6-10/h3,9H,2,4-7,10H2,1H3
InChIKeyBVFJPABISUXAKY-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
2-(5-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 12160618
2-(Cyclohexen-1-yl)ethanamine;3-methoxypropan-1-amine
CID 67562604
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
2-(7-Oxabicyclo[4.1.0]hept-3-en-3-yl)ethanamine
CID 89138464
5-Cyclohex-3-en-1-yloxypentan-1-amine
CID 89197343
4-Cyclohexa-1,5-dien-1-yl-3-methoxybutan-1-amine
CID 143109891
4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine
CID 152961582
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
[(4R,6S)-4-methoxy-6-methylcyclohexen-1-yl]methanamine
CID 174038054
(2Z)-2-(2-propyloxan-4-ylidene)ethanamine
CID 64138075

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycyclohexen-1-yl)ethanamine?
The IUPAC name of 2-(5-methoxycyclohexen-1-yl)ethanamine (CID 91609641) is 2-(5-methoxycyclohexen-1-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxycyclohexen-1-yl)ethanamine?
The canonical SMILES for 2-(5-methoxycyclohexen-1-yl)ethanamine is COC1CCC=C(CCN)C1.
What is the InChIKey of 2-(5-methoxycyclohexen-1-yl)ethanamine?
The InChIKey is BVFJPABISUXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-9-4-2-3-8(7-9)5-6-10/h3,9H,2,4-7,10H2,1H3.
What are the key properties of 2-(5-methoxycyclohexen-1-yl)ethanamine?
2-(5-methoxycyclohexen-1-yl)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycyclohexen-1-yl)ethanamine is sourced from PubChem (CID 91609641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).