1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine

C9H18F3N — CID 150612178

IUPAC1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine
SMILESCCCC(N(C)CCC)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-4-6-8(9(10,11)12)13(3)7-5-2/h8H,4-7H2,1-3H3
InChIKeyIUDFLZNQHMLQPO-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.06
Rot. Bonds5

About 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine

1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine (PubChem CID 150612178) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine
PubChem CID150612178
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine
SMILESCCCC(N(C)CCC)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-4-6-8(9(10,11)12)13(3)7-5-2/h8H,4-7H2,1-3H3
InChIKeyIUDFLZNQHMLQPO-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-N,N-dimethylpentan-2-amine
CID 116914306
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
CID 60960619
3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine (CID 150612178) is 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine is CCCC(N(C)CCC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine?
The InChIKey is IUDFLZNQHMLQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-4-6-8(9(10,11)12)13(3)7-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine?
1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 150612178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).