N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

C12H23F3N2 — CID 62427327

IUPACN-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCC(C)N(CCCCNC1CC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-4-3-7-16-11-5-6-11/h10-11,16H,3-9H2,1-2H3
InChIKeyWFXCNBLGYXNAHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds8

About N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (PubChem CID 62427327) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
PubChem CID62427327
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCC(C)N(CCCCNC1CC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-4-3-7-16-11-5-6-11/h10-11,16H,3-9H2,1-2H3
InChIKeyWFXCNBLGYXNAHN-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
N',N'-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butane-1,4-diamine
CID 64754071
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408928
N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62428767
1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906024
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (CID 62427327) is N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is CC(C)N(CCCCNC1CC1)CC(F)(F)F.
What is the InChIKey of N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The InChIKey is WFXCNBLGYXNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)17(9-12(13,14)15)8-4-3-7-16-11-5-6-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is sourced from PubChem (CID 62427327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).