2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

C16H30N2O — CID 107181141

IUPAC2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)C1CCCC1(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)18(11-13-7-6-10-17-13)15(19)14-8-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyKUAVMKLTCKLGBY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds4

About 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide

2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 107181141) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID107181141
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)C1CCCC1(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)18(11-13-7-6-10-17-13)15(19)14-8-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyKUAVMKLTCKLGBY-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide (CID 107181141) is 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is CC(C)N(CC1CCCN1)C(=O)C1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is KUAVMKLTCKLGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)18(11-13-7-6-10-17-13)15(19)14-8-5-9-16(14,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide?
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107181141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).