N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine

C14H26F3N — CID 153298409

IUPACN-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1
InChIKeyKCUOBXANRDOIEP-AAEUAGOBSA-N
MW265.36 g/mol
LogP4.47
Rot. Bonds6

About N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine

N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine (PubChem CID 153298409) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
PubChem CID153298409
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC NameN-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine
SMILESCC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1
InChIKeyKCUOBXANRDOIEP-AAEUAGOBSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The IUPAC name of N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine (CID 153298409) is N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The canonical SMILES for N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine is CC(C)C[C@H](C)N(C1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
The InChIKey is KCUOBXANRDOIEP-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26F3N/c1-9(2)8-11(5)18(12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1.
What are the key properties of N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine?
N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylpentan-2-yl]-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]cyclopropanamine is sourced from PubChem (CID 153298409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).