N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine

C13H24F3N — CID 114158562

IUPACN-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)CC(CC(C)C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-9(2)7-11(8-10(3)4)17-12(5-6-12)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeySRMDMIQJWWYTOW-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds6

About N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158562) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158562
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)CC(CC(C)C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-9(2)7-11(8-10(3)4)17-12(5-6-12)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeySRMDMIQJWWYTOW-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-Methylheptan-2-yl)cyclopropanamine
CID 27731
N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
CID 21355547
(4-Methylpentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24707346
(2R)-5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 28371045
5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 43185242
2-Propan-2-yl-5-(trifluoromethyl)piperidine
CID 64459247
N-(1-cyclopropyl-2,2,2-trifluoroethyl)propan-2-amine
CID 83683764
2,2-difluoro-6-methyl-N-propan-2-ylheptan-1-amine
CID 88581242
1,1,1-trifluoro-N,8-dimethylnonan-2-amine
CID 88588113
1,1,1-trifluoro-N-propan-2-yl-3-(2,2,2-trifluoroethyl)decan-3-amine
CID 117841226
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropan-2-amine
CID 118684017
N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine
CID 121451135

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158562) is N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine is CC(C)CC(CC(C)C)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is SRMDMIQJWWYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-9(2)7-11(8-10(3)4)17-12(5-6-12)13(14,15)16/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).