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

C15H28F3N — CID 146435926

IUPACN-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(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-/m1/s1
InChIKeyIOGFKZKXQSPJEV-TYZXPVIJSA-N
MW279.39 g/mol
LogP4.72
Rot. Bonds7

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

N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 146435926) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID146435926
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(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-/m1/s1
InChIKeyIOGFKZKXQSPJEV-TYZXPVIJSA-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

Analyze N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 146435926) is N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CC(C)CC(C)N(CC1CC1)[C@H](C(C)C)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is IOGFKZKXQSPJEV-TYZXPVIJSA-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-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
N-(cyclopropylmethyl)-4-methyl-N-[(2R)-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 N-(cyclopropylmethyl)-4-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 146435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).