(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone

C15H21NO — CID 116558695

IUPAC(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N)CCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-10-8-12(3)13(9-11(10)2)14(17)15(16)6-4-5-7-15/h8-9H,4-7,16H2,1-3H3
InChIKeyOHMABBNGIYVWQK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.07
Rot. Bonds2

About (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone

(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 116558695) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID116558695
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N)CCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-10-8-12(3)13(9-11(10)2)14(17)15(16)6-4-5-7-15/h8-9H,4-7,16H2,1-3H3
InChIKeyOHMABBNGIYVWQK-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 80690970
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
(1-aminocyclopentyl)-(5-methylthiophen-3-yl)methanone
CID 116558927
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone (CID 116558695) is (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2(N)CCCC2)cc1C.
What is the InChIKey of (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is OHMABBNGIYVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-8-12(3)13(9-11(10)2)14(17)15(16)6-4-5-7-15/h8-9H,4-7,16H2,1-3H3.
What are the key properties of (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone?
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116558695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).