3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine

C13H27F3N2 — CID 81019612

IUPAC3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)CCC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-10(2)8-17-9-11(3)12(4)18(5)7-6-13(14,15)16/h10-12,17H,6-9H2,1-5H3
InChIKeyYREIBJLBFJZVJO-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.14
Rot. Bonds8

About 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine

3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine (PubChem CID 81019612) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
PubChem CID81019612
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)CCC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-10(2)8-17-9-11(3)12(4)18(5)7-6-13(14,15)16/h10-12,17H,6-9H2,1-5H3
InChIKeyYREIBJLBFJZVJO-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 115475408
3-N-ethyl-2-methyl-1-N-(2-methylpropyl)-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 81012737
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151
1-methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)thiourea
CID 115591638
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
CID 175939227
CID 175939227
3-N-[(4-bromophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011392
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011276
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The IUPAC name of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine (CID 81019612) is 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The canonical SMILES for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine is CC(C)CNCC(C)C(C)N(C)CCC(F)(F)F.
What is the InChIKey of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
The InChIKey is YREIBJLBFJZVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-10(2)8-17-9-11(3)12(4)18(5)7-6-13(14,15)16/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine?
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine is sourced from PubChem (CID 81019612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).