1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine

C15H29NO — CID 106654510

IUPAC1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(C1=CCCCCC1)C(OC)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-15(2,3)14(17-5)13(16-4)12-10-8-6-7-9-11-12/h10,13-14,16H,6-9,11H2,1-5H3
InChIKeyJEVFQBWPWKUNOU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds4

About 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine

1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 106654510) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
PubChem CID106654510
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(C1=CCCCCC1)C(OC)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-15(2,3)14(17-5)13(16-4)12-10-8-6-7-9-11-12/h10,13-14,16H,6-9,11H2,1-5H3
InChIKeyJEVFQBWPWKUNOU-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
CID 106654431
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 106653796
1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine (CID 106654510) is 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine is CNC(C1=CCCCCC1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is JEVFQBWPWKUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)14(17-5)13(16-4)12-10-8-6-7-9-11-12/h10,13-14,16H,6-9,11H2,1-5H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 106654510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).