ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine

C17H32N2 — CID 144654673

IUPACethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine
SMILESC=N/C=C(\C=C/C)C(C)N(C)C1CCCCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-5-9-14(12-16-3)13(2)17(4)15-10-7-6-8-11-15;1-2/h5,9,12-13,15H,3,6-8,10-11H2,1-2,4H3;1-2H3/b9-5-,14-12+;
InChIKeyAMJLBUKADGYAGL-OMLGCRDASA-N
MW264.46 g/mol
LogP4.83
Rot. Bonds5

About ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine

ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine (PubChem CID 144654673) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine
PubChem CID144654673
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Nameethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine
SMILESC=N/C=C(\C=C/C)C(C)N(C)C1CCCCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-5-9-14(12-16-3)13(2)17(4)15-10-7-6-8-11-15;1-2/h5,9,12-13,15H,3,6-8,10-11H2,1-2,4H3;1-2H3/b9-5-,14-12+;
InChIKeyAMJLBUKADGYAGL-OMLGCRDASA-N
XLogP4.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine with MolForge

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Related Compounds

2-butyl-1-pentyl-3,5-dipropyl-2H-pyridine
CID 20382386
1-decyl-3,5-diethyl-2-propyl-2H-pyridine
CID 22418683
1-cyclohexyl-3,5-diethyl-2-propyl-2H-pyridine
CID 22572101
4-[Butan-2-yl(propyl)amino]pent-4-enyl-methylidene-[1-(1-pent-3-en-2-yl-2,3,6,7-tetrahydroazepin-4-yl)propan-2-yl]azanium
CID 91466054
N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine
CID 130182871
N-(6-butyl-4-ethenyl-1-pent-1-en-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 130182898
(2E,4Z)-3-ethyl-N-methyl-5-(methylideneamino)-N-propan-2-yl-2-prop-2-enylpenta-2,4-dien-1-amine
CID 130390226
N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
CID 130459530
N-[(Z)-1-(2-ethyl-1-methyl-2H-pyridin-5-yl)-2-methylpent-1-enyl]methanimine
CID 132125343
1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine
CID 134422826
(2R)-2-butyl-1,5-dimethyl-2H-pyridine
CID 135190914
N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine
CID 141446652

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine?
The IUPAC name of ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine (CID 144654673) is ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine.
What is the SMILES notation for ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine?
The canonical SMILES for ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine is C=N/C=C(\C=C/C)C(C)N(C)C1CCCCC1.CC.
What is the InChIKey of ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine?
The InChIKey is AMJLBUKADGYAGL-OMLGCRDASA-N. The full InChI is InChI=1S/C15H26N2.C2H6/c1-5-9-14(12-16-3)13(2)17(4)15-10-7-6-8-11-15;1-2/h5,9,12-13,15H,3,6-8,10-11H2,1-2,4H3;1-2H3/b9-5-,14-12+;.
What are the key properties of ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine?
ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine has a molecular weight of 264.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine is sourced from PubChem (CID 144654673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).