(3-aminocyclopentyl)-(4-methylphenyl)methanone

C13H17NO — CID 116587095

IUPAC(3-aminocyclopentyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C13H17NO/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11-12H,6-8,14H2,1H3
InChIKeyGRYQMNUYFGNQSP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds2

About (3-aminocyclopentyl)-(4-methylphenyl)methanone

(3-aminocyclopentyl)-(4-methylphenyl)methanone (PubChem CID 116587095) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-methylphenyl)methanone
PubChem CID116587095
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3-aminocyclopentyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C13H17NO/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11-12H,6-8,14H2,1H3
InChIKeyGRYQMNUYFGNQSP-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
(3-aminocyclobutyl)-(6-methylnaphthalen-2-yl)methanone
CID 116917790
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
CID 116557437
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(3-aminocyclopentyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116587227
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116587316
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
CID 116587054

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-methylphenyl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(4-methylphenyl)methanone (CID 116587095) is (3-aminocyclopentyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCC(N)C2)cc1.
What is the InChIKey of (3-aminocyclopentyl)-(4-methylphenyl)methanone?
The InChIKey is GRYQMNUYFGNQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-2-4-10(5-3-9)13(15)11-6-7-12(14)8-11/h2-5,11-12H,6-8,14H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(4-methylphenyl)methanone?
(3-aminocyclopentyl)-(4-methylphenyl)methanone has a molecular weight of 203.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 116587095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).