2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

C11H21NO — CID 103074400

IUPAC2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCC(C)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8,12H2,1H3
InChIKeyKMILEUJTZZBITP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds4

About 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine

2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074400) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074400
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCC(C)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8,12H2,1H3
InChIKeyKMILEUJTZZBITP-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'}

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Related Compounds

[2-(2-Methylprop-2-enoxy)cyclohexyl]methanamine
CID 65838526
4-(4-Methylcyclohexyl)oxybut-2-en-1-amine
CID 77110431
2-(Cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074327
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
2-[(2-Ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074406
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
2-[(2-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074412

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074400) is 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CN)COC1CCC(C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is KMILEUJTZZBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8,12H2,1H3.
What are the key properties of 2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
2-[(4-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-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).