3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine

C13H24F3NO — CID 104924983

IUPAC3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-9(6-5-7-13(14,15)16)17-10-8-11(18-4)12(10,2)3/h9-11,17H,5-8H2,1-4H3
InChIKeyKPMWAORDLDVIRD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine

3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine (PubChem CID 104924983) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine
PubChem CID104924983
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H24F3NO/c1-9(6-5-7-13(14,15)16)17-10-8-11(18-4)12(10,2)3/h9-11,17H,5-8H2,1-4H3
InChIKeyKPMWAORDLDVIRD-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(3-methoxybutan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 103788439
2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine
CID 104924853
N-(dicyclopropylmethyl)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103788373
3-methoxy-2,2-dimethyl-N-(5-methylheptan-3-yl)cyclobutan-1-amine
CID 114118592
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
CID 103742080
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103742148
N-[1-(4-bromothiophen-2-yl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 107167528

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine (CID 104924983) is 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine is COC1CC(NC(C)CCCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine?
The InChIKey is KPMWAORDLDVIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(6-5-7-13(14,15)16)17-10-8-11(18-4)12(10,2)3/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine?
3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-(6,6,6-trifluorohexan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 104924983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).