1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine

C16H25F2N — CID 143350928

IUPAC1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine
SMILESC=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1
InChIInChI=1S/C16H25F2N/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18/h13-15,19H,1,3-10H2,2H3
InChIKeyNHZYIUPNCWSIHM-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.66
Rot. Bonds6

About 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine

1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine (PubChem CID 143350928) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine
PubChem CID143350928
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine
SMILESC=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1
InChIInChI=1S/C16H25F2N/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18/h13-15,19H,1,3-10H2,2H3
InChIKeyNHZYIUPNCWSIHM-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine with MolForge

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
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CID 137400808
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene
CID 143142075
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
1-(4,4-difluorocyclohexyl)-N-ethylprop-2-en-1-amine
CID 105161164
1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine
CID 105161239
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105162995
N-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163027
1-(4,4-difluorocyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163075

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine?
The IUPAC name of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine (CID 143350928) is 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine is C=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine?
The InChIKey is NHZYIUPNCWSIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18/h13-15,19H,1,3-10H2,2H3.
What are the key properties of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine?
1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 143350928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).