ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine

C12H23N — CID 143742739

IUPACethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine
SMILESC=CC/C=C\C.C=CCN=C.CC
InChIInChI=1S/C6H10.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3-4,6H,1,5H2,2H3;3H,1-2,4H2;1-2H3/b6-4-;;
InChIKeyQWCJWFJLJFSEBM-XFUGJFOESA-N
MW181.32 g/mol
LogP4.04
Rot. Bonds4

About ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine

ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine (PubChem CID 143742739) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine.

Molecular Properties

Compound Nameethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine
PubChem CID143742739
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine
SMILESC=CC/C=C\C.C=CCN=C.CC
InChIInChI=1S/C6H10.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3-4,6H,1,5H2,2H3;3H,1-2,4H2;1-2H3/b6-4-;;
InChIKeyQWCJWFJLJFSEBM-XFUGJFOESA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-4-fluorohex-2-enyl]methanimine
CID 167132193
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
CID 142913317
(2E,5E)-N,N-dimethylhepta-2,5-dien-1-amine
CID 20603577
N-[(Z)-2-ethylpent-2-enyl]methanimine
CID 22946737
[(2Z,5E)-hepta-2,5-dienyl]-dimethyl-amine
CID 24972242
N-[(E)-2-ethylpent-2-enyl]methanimine
CID 53818125
N-pent-3-en-2-ylmethanimine
CID 57104228
Trimethyl(pent-2-enyl)azanium
CID 59817117
(Z)-N-propylhex-3-en-1-imine
CID 88915158
N-[(Z)-2-methylpent-3-enyl]methanimine
CID 89189425
Ethyl-methylidene-pent-2-enylazanium
CID 123154431

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine?
The IUPAC name of ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine (CID 143742739) is ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine.
What is the SMILES notation for ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine?
The canonical SMILES for ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine is C=CC/C=C\C.C=CCN=C.CC.
What is the InChIKey of ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine?
The InChIKey is QWCJWFJLJFSEBM-XFUGJFOESA-N. The full InChI is InChI=1S/C6H10.C4H7N.C2H6/c1-3-5-6-4-2;1-3-4-5-2;1-2/h3-4,6H,1,5H2,2H3;3H,1-2,4H2;1-2H3/b6-4-;;.
What are the key properties of ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine?
ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine has a molecular weight of 181.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine is sourced from PubChem (CID 143742739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).