1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine

C11H21F3N2 — CID 115710251

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
SMILESCC(CC(F)(F)F)NCC(C1CC1)N(C)C
InChIInChI=1S/C11H21F3N2/c1-8(6-11(12,13)14)15-7-10(16(2)3)9-4-5-9/h8-10,15H,4-7H2,1-3H3
InChIKeyWCOFHTVVHSPBLJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds6

About 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine

1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine (PubChem CID 115710251) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
PubChem CID115710251
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
SMILESCC(CC(F)(F)F)NCC(C1CC1)N(C)C
InChIInChI=1S/C11H21F3N2/c1-8(6-11(12,13)14)15-7-10(16(2)3)9-4-5-9/h8-10,15H,4-7H2,1-3H3
InChIKeyWCOFHTVVHSPBLJ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
CID 115717067
1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
CID 115710225
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methylpropanamide
CID 119859184
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
CID 103779068
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 75362829
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine (CID 115710251) is 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine is CC(CC(F)(F)F)NCC(C1CC1)N(C)C.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
The InChIKey is WCOFHTVVHSPBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-8(6-11(12,13)14)15-7-10(16(2)3)9-4-5-9/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115710251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).