3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C12H25N3O — CID 79654805

IUPAC3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-5-15(4)10-6-7-12(8-10,11(13)16)14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyUPOWANWNGPBJGV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79654805) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79654805
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCN(C)C1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-5-15(4)10-6-7-12(8-10,11(13)16)14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyUPOWANWNGPBJGV-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636441
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646644
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79654805) is 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CCN(C)C1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is UPOWANWNGPBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-15(4)10-6-7-12(8-10,11(13)16)14-9(2)3/h9-10,14H,5-8H2,1-4H3,(H2,13,16).
What are the key properties of 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79654805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).