ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine

C18H36N2 — CID 143656319

IUPACethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
SMILESCC.CCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C
InChIInChI=1S/C16H30N2.C2H6/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15;1-2/h12-13,15,18H,5-11H2,1-4H3;1-2H3/b14-12+,17-16-;
InChIKeyKYFWZWTXNGQLJM-WUMIFWHNSA-N
MW280.50 g/mol
LogP5.35
Rot. Bonds6

About ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine

ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine (PubChem CID 143656319) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine.

Molecular Properties

Compound Nameethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
PubChem CID143656319
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
SMILESCC.CCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C
InChIInChI=1S/C16H30N2.C2H6/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15;1-2/h12-13,15,18H,5-11H2,1-4H3;1-2H3/b14-12+,17-16-;
InChIKeyKYFWZWTXNGQLJM-WUMIFWHNSA-N
XLogP5.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-methylpentanamide
CID 4532030
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide
CID 70287689
N-cyclohexyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195692
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-pentan-2-ylcyclooctanamine
CID 43079432

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The IUPAC name of ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine (CID 143656319) is ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine.
What is the SMILES notation for ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The canonical SMILES for ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine is CC.CCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C.
What is the InChIKey of ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The InChIKey is KYFWZWTXNGQLJM-WUMIFWHNSA-N. The full InChI is InChI=1S/C16H30N2.C2H6/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15;1-2/h12-13,15,18H,5-11H2,1-4H3;1-2H3/b14-12+,17-16-;.
What are the key properties of ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine has a molecular weight of 280.50 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine is sourced from PubChem (CID 143656319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).