N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine

C11H22F3N — CID 114868730

IUPACN,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
SMILESCNC(CC(C)C)(CC(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-8(2)6-10(15-5,7-9(3)4)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyCMKTVIQPNBIFEV-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.60
Rot. Bonds5

About N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine

N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine (PubChem CID 114868730) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
PubChem CID114868730
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC NameN,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
SMILESCNC(CC(C)C)(CC(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-8(2)6-10(15-5,7-9(3)4)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyCMKTVIQPNBIFEV-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
CID 159890028
2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 83915194
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
CID 112566856
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
CID 164863401
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
4-methyl-N-[1,1,1-trifluoro-2-(hydroxymethyl)-4-methylpentan-2-yl]benzenesulfonamide
CID 135282079
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939
N,3,5-trimethylhex-1-en-3-amine
CID 145461541
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine?
The IUPAC name of N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine (CID 114868730) is N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine.
What is the SMILES notation for N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine?
The canonical SMILES for N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine is CNC(CC(C)C)(CC(C)C)C(F)(F)F.
What is the InChIKey of N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine?
The InChIKey is CMKTVIQPNBIFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-8(2)6-10(15-5,7-9(3)4)11(12,13)14/h8-9,15H,6-7H2,1-5H3.
What are the key properties of N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine?
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine has a molecular weight of 225.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine is sourced from PubChem (CID 114868730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).