N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine

C9H19F3N2 — CID 64566711

IUPACN'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)CCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)7-14(6-4-13)5-3-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyYUABWNGQKFXYAA-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.86
Rot. Bonds6

About N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine

N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine (PubChem CID 64566711) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
PubChem CID64566711
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)CCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-8(2)7-14(6-4-13)5-3-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyYUABWNGQKFXYAA-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
N'-(2-ethylbutyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 82928107
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine
CID 62381780
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513345
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
CID 166136882
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine (CID 64566711) is N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine is CC(C)CN(CCN)CCC(F)(F)F.
What is the InChIKey of N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
The InChIKey is YUABWNGQKFXYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-8(2)7-14(6-4-13)5-3-9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine is sourced from PubChem (CID 64566711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).