2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C13H25F3N2 — CID 62568495

IUPAC2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCC(C)NCC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-4-5-10(2)17-8-11(3)18(12-6-7-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyZBVMJIUHDZPBIZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.18
Rot. Bonds8

About 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62568495) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62568495
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCC(C)NCC(C)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2/c1-4-5-10(2)17-8-11(3)18(12-6-7-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyZBVMJIUHDZPBIZ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 64705974
N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554816
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044049
1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 55073819
2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64827880
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 78991141
N-pentan-2-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850232

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62568495) is 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCC(C)NCC(C)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is ZBVMJIUHDZPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-5-10(2)17-8-11(3)18(12-6-7-12)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62568495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).