3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C11H23F3N2 — CID 114998356

IUPAC3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CN)C(C)CC
InChIInChI=1S/C11H23F3N2/c1-4-6-16(8-11(12,13)14)10(7-15)9(3)5-2/h9-10H,4-8,15H2,1-3H3
InChIKeyIFEMPWKLBDCOHM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.63
Rot. Bonds7

About 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 114998356) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID114998356
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CN)C(C)CC
InChIInChI=1S/C11H23F3N2/c1-4-6-16(8-11(12,13)14)10(7-15)9(3)5-2/h9-10H,4-8,15H2,1-3H3
InChIKeyIFEMPWKLBDCOHM-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427552
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
4-methyl-3-propan-2-yl-2-N,2-N-dipropylpentane-1,2-diamine
CID 114281886
2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
CID 79668130
2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 43312489
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 114998356) is 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCN(CC(F)(F)F)C(CN)C(C)CC.
What is the InChIKey of 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is IFEMPWKLBDCOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-6-16(8-11(12,13)14)10(7-15)9(3)5-2/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 114998356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).