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

C17H23F3N2 — CID 162371815

IUPAC1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
SMILESCC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2/c1-15(2,21)11-22(14-6-7-14)16(8-9-16)12-4-3-5-13(10-12)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3
InChIKeyDXXKXVVBRBASOS-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.90
Rot. Bonds5

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

1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine (PubChem CID 162371815) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
PubChem CID162371815
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
SMILESCC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2/c1-15(2,21)11-22(14-6-7-14)16(8-9-16)12-4-3-5-13(10-12)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3
InChIKeyDXXKXVVBRBASOS-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine (CID 162371815) is 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine is CC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
The InChIKey is DXXKXVVBRBASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-15(2,21)11-22(14-6-7-14)16(8-9-16)12-4-3-5-13(10-12)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine?
1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine has a molecular weight of 312.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine is sourced from PubChem (CID 162371815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).