1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C11H21F3N2 — CID 62044049

IUPAC1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN(CC(F)(F)F)C1CC1)NC
InChIInChI=1S/C11H21F3N2/c1-3-4-9(15-2)7-16(10-5-6-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyPZRIBRGCNXRXLY-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds7

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

1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 62044049) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID62044049
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN(CC(F)(F)F)C1CC1)NC
InChIInChI=1S/C11H21F3N2/c1-3-4-9(15-2)7-16(10-5-6-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyPZRIBRGCNXRXLY-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 62044225
N'-cyclopropyl-N,2-dimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62618413
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568495
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256736
N'-cyclopropyl-2-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233366
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62428428
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 62044049) is 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCC(CN(CC(F)(F)F)C1CC1)NC.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is PZRIBRGCNXRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-4-9(15-2)7-16(10-5-6-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 62044049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).