N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C10H14F3N3 — CID 58431139

IUPACN-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3/c1-6(2)16-9(3-4-9)8-14-5-7(15-8)10(11,12)13/h5-6,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyKLACDYVOXMMMNJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.42
Rot. Bonds3

About N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine

N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 58431139) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID58431139
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C10H14F3N3/c1-6(2)16-9(3-4-9)8-14-5-7(15-8)10(11,12)13/h5-6,16H,3-4H2,1-2H3,(H,14,15)
InChIKeyKLACDYVOXMMMNJ-UHFFFAOYSA-N
XLogP2.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 58431139) is N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is CC(C)NC1(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is KLACDYVOXMMMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)16-9(3-4-9)8-14-5-7(15-8)10(11,12)13/h5-6,16H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 58431139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).