1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide

C12H25N3O — CID 80705706

IUPAC1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
SMILESCN(C)CCNC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-11(2)5-6-12(9-11,10(13)16)14-7-8-15(3)4/h14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyAKJSBHNXQDCJGD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide

1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide (PubChem CID 80705706) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
PubChem CID80705706
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
SMILESCN(C)CCNC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-11(2)5-6-12(9-11,10(13)16)14-7-8-15(3)4/h14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyAKJSBHNXQDCJGD-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
3,3-dimethyl-1-(2-methylpropylamino)cyclopentane-1-carboxamide
CID 80705707
1-[2-(diethylamino)ethylamino]cyclopropane-1-carboxamide
CID 104577737
3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 80706182
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468825
6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 63630990
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
1-[2-(dimethylamino)ethylamino]-2-methylcyclopentane-1-carboxamide
CID 65045175
methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
CID 80700254
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide (CID 80705706) is 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide is CN(C)CCNC1(C(N)=O)CCC(C)(C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide?
The InChIKey is AKJSBHNXQDCJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)5-6-12(9-11,10(13)16)14-7-8-15(3)4/h14H,5-9H2,1-4H3,(H2,13,16).
What are the key properties of 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide?
1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 80705706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).