N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H23ClF2N2O — CID 119569950

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-16(4-2,9-19)20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H
InChIKeyWABBDBXPFFLROI-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.12
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119569950) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119569950
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-16(4-2,9-19)20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H
InChIKeyWABBDBXPFFLROI-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119570795
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119602373
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
N-[3-(aminomethyl)pentan-3-yl]-2,3-difluorobenzamide
CID 63767818
N-(1-aminopropan-2-yl)-2-(2,6-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119582760
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119569950) is N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CC1c1c(F)cccc1F.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WABBDBXPFFLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-3-16(4-2,9-19)20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119569950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).