1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C13H25F3N2 — CID 62426974

IUPAC1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CC1)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)12(7-17-11-5-6-11)18(10(3)4)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3
InChIKeyFIHKPRBYZRGYKE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

About 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 62426974) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID62426974
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCC(C)C(CNC1CC1)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)12(7-17-11-5-6-11)18(10(3)4)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3
InChIKeyFIHKPRBYZRGYKE-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408928
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 55073819
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427327
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
1-N-cyclopropyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62421806
2-(cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 64725488
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62437164
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 62426974) is 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CC(C)C(CNC1CC1)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is FIHKPRBYZRGYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(2)12(7-17-11-5-6-11)18(10(3)4)8-13(14,15)16/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 62426974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).