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'}

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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).