ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine

C14H28N2O — CID 145199678

IUPACethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine
SMILESC/C=C\C(=C\C)NC1CCCCO1.CC.[H]N=C
InChIInChI=1S/C11H19NO.C2H6.CH3N/c1-3-7-10(4-2)12-11-8-5-6-9-13-11;2*1-2/h3-4,7,11-12H,5-6,8-9H2,1-2H3;1-2H3;2H,1H2/b7-3-,10-4-;;
InChIKeyQMWVHCKYZGOOAB-IEKDYYNOSA-N
MW240.39 g/mol
LogP3.87
Rot. Bonds3

About ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine

ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine (PubChem CID 145199678) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine.

Molecular Properties

Compound Nameethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine
PubChem CID145199678
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine
SMILESC/C=C\C(=C\C)NC1CCCCO1.CC.[H]N=C
InChIInChI=1S/C11H19NO.C2H6.CH3N/c1-3-7-10(4-2)12-11-8-5-6-9-13-11;2*1-2/h3-4,7,11-12H,5-6,8-9H2,1-2H3;1-2H3;2H,1H2/b7-3-,10-4-;;
InChIKeyQMWVHCKYZGOOAB-IEKDYYNOSA-N
XLogP3.87
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine with MolForge

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Related Compounds

N-buta-1,3-dien-2-yloxan-2-amine
CID 137483409
N-[(3Z)-hexa-1,3-dien-2-yl]oxan-2-amine
CID 145199894
N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
CID 166774370
N-[(3E)-4-chloropenta-1,3-dien-2-yl]oxan-2-amine
CID 178007231
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine
CID 145199679

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine?
The IUPAC name of ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine (CID 145199678) is ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine.
What is the SMILES notation for ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine?
The canonical SMILES for ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine is C/C=C\C(=C\C)NC1CCCCO1.CC.[H]N=C.
What is the InChIKey of ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine?
The InChIKey is QMWVHCKYZGOOAB-IEKDYYNOSA-N. The full InChI is InChI=1S/C11H19NO.C2H6.CH3N/c1-3-7-10(4-2)12-11-8-5-6-9-13-11;2*1-2/h3-4,7,11-12H,5-6,8-9H2,1-2H3;1-2H3;2H,1H2/b7-3-,10-4-;;.
What are the key properties of ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine?
ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine has a molecular weight of 240.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4Z)-hexa-2,4-dien-3-yl]oxan-2-amine;methanimine is sourced from PubChem (CID 145199678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).