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

C13H25NO — CID 103074395

IUPACN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COC1CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-4-14-9-12(3)10-15-13-7-5-11(2)6-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyPDSRJHGQUUVDRV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

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

N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074395) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074395
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COC1CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-4-14-9-12(3)10-15-13-7-5-11(2)6-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyPDSRJHGQUUVDRV-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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

4-(2-Methylprop-2-enoxy)-3-propylpiperidine
CID 156206985
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
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-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074395) is N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CNCC)COC1CCC(C)CC1.
What is the InChIKey of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is PDSRJHGQUUVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14-9-12(3)10-15-13-7-5-11(2)6-8-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine?
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).