1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H25F3N2 — CID 62428626

IUPAC1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)CNCC(C)C
InChIInChI=1S/C12H25F3N2/c1-5-6-17(9-12(13,14)15)11(4)8-16-7-10(2)3/h10-11,16H,5-9H2,1-4H3
InChIKeyWDRUDUYQTVVLEY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.89
Rot. Bonds8

About 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62428626) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62428626
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)CNCC(C)C
InChIInChI=1S/C12H25F3N2/c1-5-6-17(9-12(13,14)15)11(4)8-16-7-10(2)3/h10-11,16H,5-9H2,1-4H3
InChIKeyWDRUDUYQTVVLEY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62558170
3-N-ethyl-2-methyl-1-N-(2-methylpropyl)-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 81012737
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427552
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64826092
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969917
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
3-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507912

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62428626) is 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(C)CNCC(C)C.
What is the InChIKey of 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is WDRUDUYQTVVLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-6-17(9-12(13,14)15)11(4)8-16-7-10(2)3/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62428626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).