1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine

C25H46F4N2 — CID 170263361

IUPAC1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine
SMILESCC(C)/C=C(\F)C(C)(C)C(C)(C)NC1(C(C)(C)C(C)(C)NC(C(C)C)C(F)(F)F)CC1
InChIInChI=1S/C25H46F4N2/c1-16(2)15-18(26)20(5,6)22(9,10)31-24(13-14-24)21(7,8)23(11,12)30-19(17(3)4)25(27,28)29/h15-17,19,30-31H,13-14H2,1-12H3/b18-15-
InChIKeyCYOSYQXCIKVZLD-SDXDJHTJSA-N
MW450.65 g/mol
LogP7.40
Rot. Bonds10

About 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine

1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine (PubChem CID 170263361) has the molecular formula C25H46F4N2 and a molecular weight of 450.65 g/mol. Its IUPAC name is 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine
PubChem CID170263361
Molecular FormulaC25H46F4N2
Molecular Weight450.65 g/mol
Exact Mass450.36
IUPAC Name1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine
SMILESCC(C)/C=C(\F)C(C)(C)C(C)(C)NC1(C(C)(C)C(C)(C)NC(C(C)C)C(F)(F)F)CC1
InChIInChI=1S/C25H46F4N2/c1-16(2)15-18(26)20(5,6)22(9,10)31-24(13-14-24)21(7,8)23(11,12)30-19(17(3)4)25(27,28)29/h15-17,19,30-31H,13-14H2,1-12H3/b18-15-
InChIKeyCYOSYQXCIKVZLD-SDXDJHTJSA-N
XLogP7.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.65
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine (CID 170263361) is 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine is CC(C)/C=C(\F)C(C)(C)C(C)(C)NC1(C(C)(C)C(C)(C)NC(C(C)C)C(F)(F)F)CC1.
What is the InChIKey of 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine?
The InChIKey is CYOSYQXCIKVZLD-SDXDJHTJSA-N. The full InChI is InChI=1S/C25H46F4N2/c1-16(2)15-18(26)20(5,6)22(9,10)31-24(13-14-24)21(7,8)23(11,12)30-19(17(3)4)25(27,28)29/h15-17,19,30-31H,13-14H2,1-12H3/b18-15-.
What are the key properties of 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine?
1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine has a molecular weight of 450.65 g/mol, XLogP of 7.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-3-[(1,1,1-trifluoro-3-methylbutan-2-yl)amino]butan-2-yl]-N-[(Z)-4-fluoro-2,3,3,6-tetramethylhept-4-en-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 170263361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).