2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine

C13H25NO — CID 103074677

IUPAC2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COC1CCCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-10-12(2)11-15-13-8-6-4-5-7-9-13/h13-14H,2-11H2,1H3
InChIKeyQCIJRKVCLTYIAM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine

2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine (PubChem CID 103074677) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine
PubChem CID103074677
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COC1CCCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-10-12(2)11-15-13-8-6-4-5-7-9-13/h13-14H,2-11H2,1H3
InChIKeyQCIJRKVCLTYIAM-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-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
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
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
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074503
N-tert-butyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074504

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine (CID 103074677) is 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine is C=C(CNCC)COC1CCCCCC1.
What is the InChIKey of 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is QCIJRKVCLTYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-10-12(2)11-15-13-8-6-4-5-7-9-13/h13-14H,2-11H2,1H3.
What are the key properties of 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine?
2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103074677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).