3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one

C18H27NO — CID 62612486

IUPAC3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15-9-11-16(12-10-15)18(20)13-14-19(2)17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3
InChIKeyJKOMVJCYBPOIBZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds5

About 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one

3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62612486) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62612486
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)C2CCCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15-9-11-16(12-10-15)18(20)13-14-19(2)17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3
InChIKeyJKOMVJCYBPOIBZ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 63956514
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one (CID 62612486) is 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(C)C2CCCCCC2)cc1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is JKOMVJCYBPOIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-9-11-16(12-10-15)18(20)13-14-19(2)17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3.
What are the key properties of 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62612486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).