N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide

C12H20F2N2O — CID 114226723

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide
SMILESNCCC1(CNC(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2N2O/c13-12(14)2-1-9(7-12)10(17)16-8-11(3-4-11)5-6-15/h9H,1-8,15H2,(H,16,17)
InChIKeyCKYVWVVQWBGODQ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.67
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114226723) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114226723
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide
SMILESNCCC1(CNC(=O)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2N2O/c13-12(14)2-1-9(7-12)10(17)16-8-11(3-4-11)5-6-15/h9H,1-8,15H2,(H,16,17)
InChIKeyCKYVWVVQWBGODQ-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide (CID 114226723) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide is NCCC1(CNC(=O)C2CCC(F)(F)C2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is CKYVWVVQWBGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c13-12(14)2-1-9(7-12)10(17)16-8-11(3-4-11)5-6-15/h9H,1-8,15H2,(H,16,17).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114226723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).