1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine

C18H25F3N2 — CID 162371808

IUPAC1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
SMILESCC(C)(N)CN(C1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2/c1-16(2,22)12-23(15-7-4-8-15)17(9-10-17)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11,15H,4,7-10,12,22H2,1-2H3
InChIKeyJUZLGOJRWYZRGA-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.29
Rot. Bonds5

About 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine

1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine (PubChem CID 162371808) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
PubChem CID162371808
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
SMILESCC(C)(N)CN(C1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2/c1-16(2,22)12-23(15-7-4-8-15)17(9-10-17)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11,15H,4,7-10,12,22H2,1-2H3
InChIKeyJUZLGOJRWYZRGA-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine (CID 162371808) is 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine is CC(C)(N)CN(C1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The InChIKey is JUZLGOJRWYZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2/c1-16(2,22)12-23(15-7-4-8-15)17(9-10-17)13-5-3-6-14(11-13)18(19,20)21/h3,5-6,11,15H,4,7-10,12,22H2,1-2H3.
What are the key properties of 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine has a molecular weight of 326.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine is sourced from PubChem (CID 162371808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).