(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine

C10H14F3N3 — CID 106212099

IUPAC(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3/c1-2-7(14)8-5-15-6-16(8)9(3-4-9)10(11,12)13/h5-7H,2-4,14H2,1H3/t7-/m1/s1
InChIKeyCVZSDVABDOUXLT-SSDOTTSWSA-N
MW233.24 g/mol
LogP2.34
Rot. Bonds3

About (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine (PubChem CID 106212099) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
PubChem CID106212099
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3/c1-2-7(14)8-5-15-6-16(8)9(3-4-9)10(11,12)13/h5-7H,2-4,14H2,1H3/t7-/m1/s1
InChIKeyCVZSDVABDOUXLT-SSDOTTSWSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]ethanamine
CID 106212137
2-methyl-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine
CID 106212111
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
3-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carbaldehyde
CID 106216993
(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 114125645
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
CID 114707394
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
(1R)-1-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104943487
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine (CID 106212099) is (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C1(C(F)(F)F)CC1.
What is the InChIKey of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
The InChIKey is CVZSDVABDOUXLT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-7(14)8-5-15-6-16(8)9(3-4-9)10(11,12)13/h5-7H,2-4,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 106212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).