3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide

C16H25N3O — CID 119895255

IUPAC3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(10-19(2)3)8-15(11)18-16(20)13-6-7-14(17)9-13/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyWOJBBHARUSZJJP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide

3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 119895255) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
PubChem CID119895255
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(10-19(2)3)8-15(11)18-16(20)13-6-7-14(17)9-13/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyWOJBBHARUSZJJP-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide;dihydrochloride
CID 119895283
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide (CID 119895255) is 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide is Cc1ccc(CN(C)C)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is WOJBBHARUSZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(10-19(2)3)8-15(11)18-16(20)13-6-7-14(17)9-13/h4-5,8,13-14H,6-7,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide?
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119895255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).