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

C16H30N2 — CID 143440305

IUPACN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
SMILESCCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C
InChIInChI=1S/C16H30N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h12-13,15,18H,5-11H2,1-4H3/b14-12+,17-16-
InChIKeyOWDFMBAYTWHXBF-JVCJPLAKSA-N
MW250.43 g/mol
LogP4.32
Rot. Bonds6

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

N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine (PubChem CID 143440305) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
PubChem CID143440305
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
SMILESCCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C
InChIInChI=1S/C16H30N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h12-13,15,18H,5-11H2,1-4H3/b14-12+,17-16-
InChIKeyOWDFMBAYTWHXBF-JVCJPLAKSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.32
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

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
N-[(Z)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 23578229
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
CID 54328538
2-[Bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-4-ethyl-1,2-dihydroazete
CID 59593610
N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine
CID 70574446
5-(6-Methyl-3,4-dihydropyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 87160518
(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
CID 88998058
4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
CID 89209337
[1-[4-(Ethylamino)cyclohex-3-en-1-yl]-4-methylpentan-3-ylidene]-methyl-(4-methylpent-1-en-2-yl)azanium
CID 123249569
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The IUPAC name of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine (CID 143440305) is N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The canonical SMILES for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine is CCCC(C)C(/C=C(\C)NC1CCCCC1)=N\C.
What is the InChIKey of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
The InChIKey is OWDFMBAYTWHXBF-JVCJPLAKSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h12-13,15,18H,5-11H2,1-4H3/b14-12+,17-16-.
What are the key properties of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine?
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine has a molecular weight of 250.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine is sourced from PubChem (CID 143440305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).