1-(2-methoxyethyl)cyclohex-3-en-1-amine

C9H17NO — CID 130901501

IUPAC1-(2-methoxyethyl)cyclohex-3-en-1-amine
SMILESCOCCC1(N)CC=CCC1
InChIInChI=1S/C9H17NO/c1-11-8-7-9(10)5-3-2-4-6-9/h2-3H,4-8,10H2,1H3
InChIKeyRGNIOTKOWXVXMB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds3

About 1-(2-methoxyethyl)cyclohex-3-en-1-amine

1-(2-methoxyethyl)cyclohex-3-en-1-amine (PubChem CID 130901501) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohex-3-en-1-amine
PubChem CID130901501
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methoxyethyl)cyclohex-3-en-1-amine
SMILESCOCCC1(N)CC=CCC1
InChIInChI=1S/C9H17NO/c1-11-8-7-9(10)5-3-2-4-6-9/h2-3H,4-8,10H2,1H3
InChIKeyRGNIOTKOWXVXMB-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

1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
CID 131097625
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
(3S)-3-(2-methoxyethyl)oxolan-3-amine
CID 96829788
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
CID 83907092
1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
CID 70514482
1-[(5-methyloxolan-2-yl)methyl]cyclohex-3-en-1-amine
CID 130944193
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
1-(oxolan-3-yloxymethyl)cyclohex-3-en-1-amine
CID 131036407
1-(2-methoxyethyl)cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 175167860
1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 131000668

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohex-3-en-1-amine?
The IUPAC name of 1-(2-methoxyethyl)cyclohex-3-en-1-amine (CID 130901501) is 1-(2-methoxyethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohex-3-en-1-amine?
The canonical SMILES for 1-(2-methoxyethyl)cyclohex-3-en-1-amine is COCCC1(N)CC=CCC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclohex-3-en-1-amine?
The InChIKey is RGNIOTKOWXVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-8-7-9(10)5-3-2-4-6-9/h2-3H,4-8,10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)cyclohex-3-en-1-amine?
1-(2-methoxyethyl)cyclohex-3-en-1-amine 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 1-(2-methoxyethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 130901501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).