(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone

C16H23NO — CID 116607279

IUPAC(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C16H23NO/c1-3-6-12-7-4-8-13(11-12)15(18)16(2)10-5-9-14(16)17/h4,7-8,11,14H,3,5-6,9-10,17H2,1-2H3
InChIKeyPMGZGUHADWUMIX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.34
Rot. Bonds4

About (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone

(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone (PubChem CID 116607279) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
PubChem CID116607279
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C16H23NO/c1-3-6-12-7-4-8-13(11-12)15(18)16(2)10-5-9-14(16)17/h4,7-8,11,14H,3,5-6,9-10,17H2,1-2H3
InChIKeyPMGZGUHADWUMIX-UHFFFAOYSA-N
XLogP3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 116543391
(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 116543351
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone (CID 116607279) is (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2(C)CCCC2N)c1.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone?
The InChIKey is PMGZGUHADWUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-12-7-4-8-13(11-12)15(18)16(2)10-5-9-14(16)17/h4,7-8,11,14H,3,5-6,9-10,17H2,1-2H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone?
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116607279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).