1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine

C10H17F2N — CID 106657108

IUPAC1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=CCCCCC1)C(F)F
InChIInChI=1S/C10H17F2N/c1-13-9(10(11)12)8-6-4-2-3-5-7-8/h6,9-10,13H,2-5,7H2,1H3
InChIKeyLKIKMUTYHARJRW-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.73
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine

1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 106657108) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
PubChem CID106657108
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=CCCCCC1)C(F)F
InChIInChI=1S/C10H17F2N/c1-13-9(10(11)12)8-6-4-2-3-5-7-8/h6,9-10,13H,2-5,7H2,1H3
InChIKeyLKIKMUTYHARJRW-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
1-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 106654510
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
CID 106654431
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451
1-(cyclopenten-1-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83155090
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
1-(cyclohexen-1-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827010
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine (CID 106657108) is 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine is CNC(C1=CCCCCC1)C(F)F.
What is the InChIKey of 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is LKIKMUTYHARJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-13-9(10(11)12)8-6-4-2-3-5-7-8/h6,9-10,13H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine?
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 189.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 106657108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).