3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C11H22N2O — CID 80706182

IUPAC3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)13-11(9(12)14)6-5-10(3,4)7-11/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyLTYUCEMIDWULOI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds3

About 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 80706182) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID80706182
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)13-11(9(12)14)6-5-10(3,4)7-11/h8,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyLTYUCEMIDWULOI-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 80706182) is 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is LTYUCEMIDWULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-11(9(12)14)6-5-10(3,4)7-11/h8,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 80706182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).