1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide

C13H26N2O — CID 115720544

IUPAC1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(NCC1(C(N)=O)CCCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(12(2,3)4)15-9-13(11(14)16)7-5-6-8-13/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyZHARPECRWZDXND-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds4

About 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide

1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide (PubChem CID 115720544) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
PubChem CID115720544
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(NCC1(C(N)=O)CCCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(12(2,3)4)15-9-13(11(14)16)7-5-6-8-13/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyZHARPECRWZDXND-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide (CID 115720544) is 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide is CC(NCC1(C(N)=O)CCCC1)C(C)(C)C.
What is the InChIKey of 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
The InChIKey is ZHARPECRWZDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(12(2,3)4)15-9-13(11(14)16)7-5-6-8-13/h10,15H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide?
1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115720544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).