2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide

C17H27N3O — CID 61114023

IUPAC2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-15(18)16(13)17(21)20(12-11-19(2)3)14-8-4-5-9-14/h6-7,10,14H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyJUBHKMLSGIOZDI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.52
Rot. Bonds5

About 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide

2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide (PubChem CID 61114023) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
PubChem CID61114023
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C17H27N3O/c1-13-7-6-10-15(18)16(13)17(21)20(12-11-19(2)3)14-8-4-5-9-14/h6-7,10,14H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyJUBHKMLSGIOZDI-UHFFFAOYSA-N
XLogP2.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-6-methylbenzamide
CID 61108963
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
CID 61139154
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-methylthiophene-2-carboxamide
CID 61114783
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63102876
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 65353932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide (CID 61114023) is 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide?
The InChIKey is JUBHKMLSGIOZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-6-10-15(18)16(13)17(21)20(12-11-19(2)3)14-8-4-5-9-14/h6-7,10,14H,4-5,8-9,11-12,18H2,1-3H3.
What are the key properties of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide?
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide is sourced from PubChem (CID 61114023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).