2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide

C12H23N3O — CID 104587522

IUPAC2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide
SMILESCC1CC(NC2CCCC2C(N)=O)CN1C
InChIInChI=1S/C12H23N3O/c1-8-6-9(7-15(8)2)14-11-5-3-4-10(11)12(13)16/h8-11,14H,3-7H2,1-2H3,(H2,13,16)
InChIKeyAKQAQTPFCSBRFR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds3

About 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide

2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide (PubChem CID 104587522) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide
PubChem CID104587522
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide
SMILESCC1CC(NC2CCCC2C(N)=O)CN1C
InChIInChI=1S/C12H23N3O/c1-8-6-9(7-15(8)2)14-11-5-3-4-10(11)12(13)16/h8-11,14H,3-7H2,1-2H3,(H2,13,16)
InChIKeyAKQAQTPFCSBRFR-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide (CID 104587522) is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide is CC1CC(NC2CCCC2C(N)=O)CN1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is AKQAQTPFCSBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8-6-9(7-15(8)2)14-11-5-3-4-10(11)12(13)16/h8-11,14H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide?
2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 104587522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).