(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine

C19H31N — CID 81390923

IUPAC(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)N[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C19H31N/c1-14-11-12-15(2)19(13-14)17(4)20-16(3)18-9-7-5-6-8-10-18/h11-13,16-18,20H,5-10H2,1-4H3/t16-,17?/m0/s1
InChIKeyDMBBHIKEZKWBDS-BHWOMJMDSA-N
MW273.46 g/mol
LogP5.31
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine (PubChem CID 81390923) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
PubChem CID81390923
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)N[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C19H31N/c1-14-11-12-15(2)19(13-14)17(4)20-16(3)18-9-7-5-6-8-10-18/h11-13,16-18,20H,5-10H2,1-4H3/t16-,17?/m0/s1
InChIKeyDMBBHIKEZKWBDS-BHWOMJMDSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine (CID 81390923) is (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine is Cc1ccc(C)c(C(C)N[C@@H](C)C2CCCCCC2)c1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine?
The InChIKey is DMBBHIKEZKWBDS-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H31N/c1-14-11-12-15(2)19(13-14)17(4)20-16(3)18-9-7-5-6-8-10-18/h11-13,16-18,20H,5-10H2,1-4H3/t16-,17?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81390923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).