1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine

C19H31N — CID 115829164

IUPAC1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2CCCCCC2)c(C)c1
InChIInChI=1S/C19H31N/c1-14-10-15(2)19(16(3)11-14)13-18(20)12-17-8-6-4-5-7-9-17/h10-11,17-18H,4-9,12-13,20H2,1-3H3
InChIKeyLZQFYADOVHJHFN-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.84
Rot. Bonds4

About 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine

1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 115829164) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID115829164
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2CCCCCC2)c(C)c1
InChIInChI=1S/C19H31N/c1-14-10-15(2)19(16(3)11-14)13-18(20)12-17-8-6-4-5-7-9-17/h10-11,17-18H,4-9,12-13,20H2,1-3H3
InChIKeyLZQFYADOVHJHFN-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
1-cyclohexyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66446718
[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292785
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1,3-dicyclopentylpropan-2-amine
CID 58122660
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol
CID 63410441

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 115829164) is 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)CC2CCCCCC2)c(C)c1.
What is the InChIKey of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is LZQFYADOVHJHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-10-15(2)19(16(3)11-14)13-18(20)12-17-8-6-4-5-7-9-17/h10-11,17-18H,4-9,12-13,20H2,1-3H3.
What are the key properties of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 115829164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).