1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane

C35H64F2N2O — CID 143350927

IUPAC1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane
SMILESC=C(C)CC(C)[C@@H](CC)CCC.C=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1.C=CN.C=O.CC1CC1
InChIInChI=1S/C16H25F2N.C12H24.C4H8.C2H5N.CH2O/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18;1-6-8-12(7-2)11(5)9-10(3)4;1-4-2-3-4;1-2-3;1-2/h13-15,19H,1,3-10H2,2H3;11-12H,3,6-9H2,1-2,4-5H3;4H,2-3H2,1H3;2H,1,3H2;1H2/t;11?,12-;;;/m.0.../s1
InChIKeyCKRDGBGZKLUNCJ-ATZNNYBZSA-N
MW566.91 g/mol
LogP10.40
Rot. Bonds12

About 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane

1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane (PubChem CID 143350927) has the molecular formula C35H64F2N2O and a molecular weight of 566.91 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane
PubChem CID143350927
Molecular FormulaC35H64F2N2O
Molecular Weight566.91 g/mol
Exact Mass566.50
IUPAC Name1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane
SMILESC=C(C)CC(C)[C@@H](CC)CCC.C=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1.C=CN.C=O.CC1CC1
InChIInChI=1S/C16H25F2N.C12H24.C4H8.C2H5N.CH2O/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18;1-6-8-12(7-2)11(5)9-10(3)4;1-4-2-3-4;1-2-3;1-2/h13-15,19H,1,3-10H2,2H3;11-12H,3,6-9H2,1-2,4-5H3;4H,2-3H2,1H3;2H,1,3H2;1H2/t;11?,12-;;;/m.0.../s1
InChIKeyCKRDGBGZKLUNCJ-ATZNNYBZSA-N
XLogP10.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.91
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane with MolForge

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Related Compounds

5-ethyl-2,4-dimethylnon-1-ene
CID 145461999
1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
CID 142268643
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
CID 142268322
2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
CID 142110052
[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane
CID 91268284
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
CID 123406141
1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene
CID 142437557
7-ethyl-3,6-dimethyldecane
CID 57491785
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902

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;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane?
The IUPAC name of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane (CID 143350927) is 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane.
What is the SMILES notation for 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane?
The canonical SMILES for 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane is C=C(C)CC(C)[C@@H](CC)CCC.C=C(CC1CC1(F)F)NC(C(=C)C)C1CCCCC1.C=CN.C=O.CC1CC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane?
The InChIKey is CKRDGBGZKLUNCJ-ATZNNYBZSA-N. The full InChI is InChI=1S/C16H25F2N.C12H24.C4H8.C2H5N.CH2O/c1-11(2)15(13-7-5-4-6-8-13)19-12(3)9-14-10-16(14,17)18;1-6-8-12(7-2)11(5)9-10(3)4;1-4-2-3-4;1-2-3;1-2/h13-15,19H,1,3-10H2,2H3;11-12H,3,6-9H2,1-2,4-5H3;4H,2-3H2,1H3;2H,1,3H2;1H2/t;11?,12-;;;/m.0.../s1.
What are the key properties of 1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane?
1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane has a molecular weight of 566.91 g/mol, XLogP of 10.40, 12 rotatable bonds, 2 hydrogen bond donors, and 3 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;ethenamine;(5S)-5-ethyl-2,4-dimethyloct-1-ene;formaldehyde;methylcyclopropane is sourced from PubChem (CID 143350927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).