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

C12H23NO — CID 103074406

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCC1CC
InChIInChI=1S/C12H23NO/c1-3-11-6-4-5-7-12(11)14-9-10(2)8-13/h11-12H,2-9,13H2,1H3
InChIKeyJMFSHMRAUOFIDM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds5

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

2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074406) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074406
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCC1CC
InChIInChI=1S/C12H23NO/c1-3-11-6-4-5-7-12(11)14-9-10(2)8-13/h11-12H,2-9,13H2,1H3
InChIKeyJMFSHMRAUOFIDM-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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

[2-(3-Methylbut-2-enoxy)cyclohexyl]methanamine
CID 65837086
[2-(2-Methylprop-2-enoxy)cyclohexyl]methanamine
CID 65838526
[2-(2-Methylidenebutoxy)cyclohexyl]methanamine
CID 66046455
4-(2-Ethylcyclohexyl)oxybut-2-en-1-amine
CID 77110432
4-(2-Methylcyclohexyl)oxybut-2-en-1-amine
CID 77110474
2-[(4-Methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074400
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074404
2-[(2-ethylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074405
2-[(2-ethylcyclohexyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103074407
N-ethyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074406) is 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CN)COC1CCCCC1CC.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is JMFSHMRAUOFIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11-6-4-5-7-12(11)14-9-10(2)8-13/h11-12H,2-9,13H2,1H3.
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine?
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).