1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine

C19H31N — CID 115482256

IUPAC1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)C2CCCCCC2)cc1CC
InChIInChI=1S/C19H31N/c1-4-15-12-13-18(14-16(15)5-2)19(20-3)17-10-8-6-7-9-11-17/h12-14,17,19-20H,4-11H2,1-3H3
InChIKeyZUCWBMGSPKWVEY-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.04
Rot. Bonds5

About 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine

1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine (PubChem CID 115482256) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
PubChem CID115482256
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)C2CCCCCC2)cc1CC
InChIInChI=1S/C19H31N/c1-4-15-12-13-18(14-16(15)5-2)19(20-3)17-10-8-6-7-9-11-17/h12-14,17,19-20H,4-11H2,1-3H3
InChIKeyZUCWBMGSPKWVEY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
1-cycloheptyl-1-(2-ethylphenyl)-N-methylmethanamine
CID 105027920
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
1-(4-bromo-3-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027806
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine (CID 115482256) is 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)C2CCCCCC2)cc1CC.
What is the InChIKey of 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine?
The InChIKey is ZUCWBMGSPKWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-15-12-13-18(14-16(15)5-2)19(20-3)17-10-8-6-7-9-11-17/h12-14,17,19-20H,4-11H2,1-3H3.
What are the key properties of 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine?
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115482256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).