2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

C11H21NO — CID 103074413

IUPAC2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCC1C
InChIInChI=1S/C11H21NO/c1-9(7-12)8-13-11-6-4-3-5-10(11)2/h10-11H,1,3-8,12H2,2H3
InChIKeyMBVBZOPRJLFYKR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074413) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074413
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCC1C
InChIInChI=1S/C11H21NO/c1-9(7-12)8-13-11-6-4-3-5-10(11)2/h10-11H,1,3-8,12H2,2H3
InChIKeyMBVBZOPRJLFYKR-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
CID 43254220
ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane
CID 143855395
cis-(1S,2R)-1-methyl-2-prop-2-enoxycyclododecane
CID 10657598
4-(2-methylcyclohexyl)oxybut-2-en-1-amine
CID 77110474
2-amino-2-methyl-3-(2-methylcyclohexyl)oxypropan-1-ol
CID 64804233
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073679
4-(2-methylcyclohexyl)oxybutanethioamide
CID 24696361
3-(2-methylcyclohexyl)oxypropanimidamide
CID 24704850
[6-[(2-methylcyclohexyl)oxymethyl]-2-pyridinyl]methanamine
CID 106907655
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074413) is 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CN)COC1CCCCC1C.
What is the InChIKey of 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is MBVBZOPRJLFYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(7-12)8-13-11-6-4-3-5-10(11)2/h10-11H,1,3-8,12H2,2H3.
What are the key properties of 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).