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

C12H23NO — CID 103074401

IUPACN-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC)COC1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-10-4-6-12(7-5-10)14-9-11(2)8-13-3/h10,12-13H,2,4-9H2,1,3H3
InChIKeyBRBYBAUGWRLAJX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

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

N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074401) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074401
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC)COC1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-10-4-6-12(7-5-10)14-9-11(2)8-13-3/h10,12-13H,2,4-9H2,1,3H3
InChIKeyBRBYBAUGWRLAJX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 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 ≤ 52.36
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-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
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
2-[(4-Methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074400
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074401) is N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CNC)COC1CCC(C)CC1.
What is the InChIKey of N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is BRBYBAUGWRLAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-6-12(7-5-10)14-9-11(2)8-13-3/h10,12-13H,2,4-9H2,1,3H3.
What are the key properties of N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).