N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C13H20F2N4 — CID 104973927

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFC(F)n1ccnc1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H20F2N4/c14-13(15)19-7-6-17-12(19)9-18(11-3-4-11)8-10-2-1-5-16-10/h6-7,10-11,13,16H,1-5,8-9H2
InChIKeyOPLHHCVITMSSAO-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.99
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104973927) has the molecular formula C13H20F2N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104973927
Molecular FormulaC13H20F2N4
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESFC(F)n1ccnc1CN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H20F2N4/c14-13(15)19-7-6-17-12(19)9-18(11-3-4-11)8-10-2-1-5-16-10/h6-7,10-11,13,16H,1-5,8-9H2
InChIKeyOPLHHCVITMSSAO-UHFFFAOYSA-N
XLogP1.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
CID 119933016
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
CID 71920109
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979275
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717441
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine;hydrochloride
CID 128964519
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104973927) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is FC(F)n1ccnc1CN(CC1CCCN1)C1CC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is OPLHHCVITMSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4/c14-13(15)19-7-6-17-12(19)9-18(11-3-4-11)8-10-2-1-5-16-10/h6-7,10-11,13,16H,1-5,8-9H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 270.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104973927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).