1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

C15H29NO — CID 106657118

IUPAC1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1=CCCCCC1
InChIInChI=1S/C15H29NO/c1-4-16-15(11-13(2)12-17-3)14-9-7-5-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyONTVXIWMHDWLDY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds7

About 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 106657118) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID106657118
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1=CCCCCC1
InChIInChI=1S/C15H29NO/c1-4-16-15(11-13(2)12-17-3)14-9-7-5-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyONTVXIWMHDWLDY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
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-(cycloocten-1-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 106650162
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 106657118) is 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is ONTVXIWMHDWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-16-15(11-13(2)12-17-3)14-9-7-5-6-8-10-14/h9,13,15-16H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 7 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-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).