1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine

C15H25F2N — CID 114216002

IUPAC1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H25F2N/c1-18-14(12-7-4-2-3-5-8-12)13-9-6-10-15(16,17)11-13/h7,13-14,18H,2-6,8-11H2,1H3
InChIKeyVBDUIKVNXDZZIH-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.29
Rot. Bonds3

About 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine

1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine (PubChem CID 114216002) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
PubChem CID114216002
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H25F2N/c1-18-14(12-7-4-2-3-5-8-12)13-9-6-10-15(16,17)11-13/h7,13-14,18H,2-6,8-11H2,1H3
InChIKeyVBDUIKVNXDZZIH-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.29
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

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
4-(3,3-Difluoro-2-methylpropyl)cyclohept-4-en-1-amine
CID 134430014
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine (CID 114216002) is 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine is CNC(C1=CCCCCC1)C1CCCC(F)(F)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine?
The InChIKey is VBDUIKVNXDZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N/c1-18-14(12-7-4-2-3-5-8-12)13-9-6-10-15(16,17)11-13/h7,13-14,18H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine has a molecular weight of 257.37 g/mol, XLogP of 4.29, 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)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 114216002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).