(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

C15H28F3N — CID 153298501

IUPAC(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)C[C@H](C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-10(2)8-12(5)19(9-13-6-7-13)14(11(3)4)15(16,17)18/h10-14H,6-9H2,1-5H3/t12-,14-/m0/s1
InChIKeyIOGFKZKXQSPJEV-JSGCOSHPSA-N
MW279.39 g/mol
LogP4.72
Rot. Bonds7

About (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 153298501) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID153298501
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)C[C@H](C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-10(2)8-12(5)19(9-13-6-7-13)14(11(3)4)15(16,17)18/h10-14H,6-9H2,1-5H3/t12-,14-/m0/s1
InChIKeyIOGFKZKXQSPJEV-JSGCOSHPSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 153298501) is (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CC(C)C[C@H](C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is IOGFKZKXQSPJEV-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H28F3N/c1-10(2)8-12(5)19(9-13-6-7-13)14(11(3)4)15(16,17)18/h10-14H,6-9H2,1-5H3/t12-,14-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
(2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 153298501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).