1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C15H29NO — CID 106657027

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCNC(COC(C)(C)C)C1=CCCCCC1
InChIInChI=1S/C15H29NO/c1-5-16-14(12-17-15(2,3)4)13-10-8-6-7-9-11-13/h10,14,16H,5-9,11-12H2,1-4H3
InChIKeyVSLGEHFSGMIBSS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds5

About 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 106657027) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID106657027
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCCNC(COC(C)(C)C)C1=CCCCCC1
InChIInChI=1S/C15H29NO/c1-5-16-14(12-17-15(2,3)4)13-10-8-6-7-9-11-13/h10,14,16H,5-9,11-12H2,1-4H3
InChIKeyVSLGEHFSGMIBSS-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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

1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
[1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106650578
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 106657119

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 106657027) is 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CCNC(COC(C)(C)C)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is VSLGEHFSGMIBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-14(12-17-15(2,3)4)13-10-8-6-7-9-11-13/h10,14,16H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 106657027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).