N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C9H12F3N3 — CID 106210284

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1[nH]cnc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3/c1-6-7(14-5-13-6)4-15-8(2-3-8)9(10,11)12/h5,15H,2-4H2,1H3,(H,13,14)
InChIKeyYZSDMYPFQSSCQG-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.90
Rot. Bonds3

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210284) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210284
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCc1[nH]cnc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3/c1-6-7(14-5-13-6)4-15-8(2-3-8)9(10,11)12/h5,15H,2-4H2,1H3,(H,13,14)
InChIKeyYZSDMYPFQSSCQG-UHFFFAOYSA-N
XLogP1.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole, 4-methyl-5-(trifluoromethyl)-
CID 591632
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
1-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]thiourea
CID 57137672
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 58431139
5-tert-butyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 70937962
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 84652002
N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 90378785

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210284) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is Cc1[nH]cnc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is YZSDMYPFQSSCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7(14-5-13-6)4-15-8(2-3-8)9(10,11)12/h5,15H,2-4H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).