N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine

C13H24F3N — CID 153298547

IUPACN-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)CCN(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)7-8-17(11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyDIKBZYPRICYDNY-LBPRGKRZSA-N
MW251.34 g/mol
LogP4.08
Rot. Bonds6

About N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine

N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine (PubChem CID 153298547) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
PubChem CID153298547
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)CCN(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)7-8-17(11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyDIKBZYPRICYDNY-LBPRGKRZSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine (CID 153298547) is N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine is CC(C)CCN(C1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The InChIKey is DIKBZYPRICYDNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24F3N/c1-9(2)7-8-17(11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine has a molecular weight of 251.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine is sourced from PubChem (CID 153298547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).