1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine

C9H18F3N — CID 163257968

IUPAC1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
SMILESCCCC(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyKOICMHBFURQGHO-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.06
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine

1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 163257968) 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-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
PubChem CID163257968
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
SMILESCCCC(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyKOICMHBFURQGHO-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-propylpentan-2-amine
CID 150612178
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673
methyl 4,4,4-trifluoro-3-[methyl(propan-2-yl)amino]butanoate
CID 140629531
3-[methyl(propan-2-yl)amino]hexan-2-ol
CID 89003622
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
(3S)-3-[methyl-(1,1,1-trifluoro-4-sulfanylbutan-2-yl)amino]butan-2-one
CID 134600010
4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
2-N-methyl-4-N-pentan-2-yl-2-N,4-N-di(propan-2-yl)pentane-2,4-diamine
CID 166949020
N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
CID 170048079
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine (CID 163257968) is 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine is CCCC(N(C)C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is KOICMHBFURQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine?
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.06, 4 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-propan-2-ylpentan-2-amine is sourced from PubChem (CID 163257968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).