N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H23F3N2 — CID 62257913

IUPACN,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)NCC(C)(C)CN(C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)15-6-10(3,4)7-16(5)8-11(12,13)14/h9,15H,6-8H2,1-5H3
InChIKeyZLOOFXVYRDEDTL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.50
Rot. Bonds6

About N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62257913) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62257913
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)NCC(C)(C)CN(C)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)15-6-10(3,4)7-16(5)8-11(12,13)14/h9,15H,6-8H2,1-5H3
InChIKeyZLOOFXVYRDEDTL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257915
N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 112664989
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
N-[(2-chlorophenyl)methyl]-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62272453
N-(cyclopropylmethyl)-2,2-dimethyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 55056354
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260356
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115676398
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62257913) is N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(C)NCC(C)(C)CN(C)CC(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is ZLOOFXVYRDEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-9(2)15-6-10(3,4)7-16(5)8-11(12,13)14/h9,15H,6-8H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62257913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).