3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine

C10H22FN — CID 105436305

IUPAC3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
SMILESCC(C)CC(CCN)C(C)(C)F
InChIInChI=1S/C10H22FN/c1-8(2)7-9(5-6-12)10(3,4)11/h8-9H,5-7,12H2,1-4H3
InChIKeyVSEYCXDESDCHMS-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.75
Rot. Bonds5

About 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine

3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine (PubChem CID 105436305) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
PubChem CID105436305
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Name3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine
SMILESCC(C)CC(CCN)C(C)(C)F
InChIInChI=1S/C10H22FN/c1-8(2)7-9(5-6-12)10(3,4)11/h8-9H,5-7,12H2,1-4H3
InChIKeyVSEYCXDESDCHMS-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
1-amino-5-methylhexan-3-ol;2,2,2-trifluoroacetic acid
CID 139349054
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
3,5,7-trimethyloctan-1-amine
CID 89355702
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane
CID 178163372
5-amino-3-(aminomethyl)-2-methylpentan-2-ol
CID 173461843
4-(2-fluoropropan-2-yl)heptane
CID 143311381

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine (CID 105436305) is 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine is CC(C)CC(CCN)C(C)(C)F.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine?
The InChIKey is VSEYCXDESDCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-8(2)7-9(5-6-12)10(3,4)11/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine?
3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 105436305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).