4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one

C17H33NO — CID 164530903

IUPAC4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
SMILESCC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1
InChIInChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3
InChIKeyRHEABMLLTWAQNQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.18
Rot. Bonds6

About 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one

4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one (PubChem CID 164530903) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
PubChem CID164530903
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
SMILESCC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1
InChIInChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3
InChIKeyRHEABMLLTWAQNQ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
CID 123783398
1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
CID 177156080
2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 59335291
(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 58177865
2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
ethyl 3-(cyclopentylmethylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63120109
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one
CID 143708489
1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
CID 58862415
methyl 4-cyclopropyl-3-(propan-2-ylamino)butanoate
CID 140629496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one (CID 164530903) is 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one is CC1CCCC(CC(NC(C)C)C(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is RHEABMLLTWAQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)17(19)16(18-13(3)4)11-15-8-6-7-14(5)9-10-15/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one?
4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 267.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 164530903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).