3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane

C18H36F2N2 — CID 170569254

IUPAC3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
SMILESC=C(CN1CCCC(F)(F)C1)NC(C)C.CCCCC(C)C
InChIInChI=1S/C11H20F2N2.C7H16/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15;1-4-5-6-7(2)3/h9,14H,3-8H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyCPQBSKMCNDHQKQ-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.06
Rot. Bonds7

About 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane

3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane (PubChem CID 170569254) has the molecular formula C18H36F2N2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
PubChem CID170569254
Molecular FormulaC18H36F2N2
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
SMILESC=C(CN1CCCC(F)(F)C1)NC(C)C.CCCCC(C)C
InChIInChI=1S/C11H20F2N2.C7H16/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15;1-4-5-6-7(2)3/h9,14H,3-8H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyCPQBSKMCNDHQKQ-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluorobut-1-en-2-yl)-5-methylpiperidin-3-amine
CID 169691394
3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569223
3-[4-(5-methylhexyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569295
3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569319
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine;ethane
CID 170569354
3-[4-fluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569417
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
2-N,5-dimethyl-1-N-[2-[3-(methylamino)prop-1-en-2-ylamino]but-3-enyl]-1-N-(2,2,2-trifluoroethyl)hept-6-ene-1,2,6-triamine
CID 174259071
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556590
N-but-1-en-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 142586354
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
CID 170569255
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
CID 170569355

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane (CID 170569254) is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane is C=C(CN1CCCC(F)(F)C1)NC(C)C.CCCCC(C)C.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?
The InChIKey is CPQBSKMCNDHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2.C7H16/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15;1-4-5-6-7(2)3/h9,14H,3-8H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane has a molecular weight of 318.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane is sourced from PubChem (CID 170569254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).