ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide

C14H28N2 — CID 143256173

IUPACethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)/N=C/N.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-5-10(6-8(2)3)9(4)12-7-11;2*1-2/h6-7H,2,4-5H2,1,3H3,(H2,11,12);2*1-2H3/b10-6-;;
InChIKeyCINBOVPDMPCJML-LVLXLXDWSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds4

About ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide

ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 143256173) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound Nameethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID143256173
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)/N=C/N.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-5-10(6-8(2)3)9(4)12-7-11;2*1-2/h6-7H,2,4-5H2,1,3H3,(H2,11,12);2*1-2H3/b10-6-;;
InChIKeyCINBOVPDMPCJML-LVLXLXDWSA-N
XLogP4.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide
CID 123986247
N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide
CID 123990513
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide (CID 143256173) is ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide is C=C(C)/C=C(/CC)C(=C)/N=C/N.CC.CC.
What is the InChIKey of ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is CINBOVPDMPCJML-LVLXLXDWSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-5-10(6-8(2)3)9(4)12-7-11;2*1-2/h6-7H,2,4-5H2,1,3H3,(H2,11,12);2*1-2H3/b10-6-;;.
What are the key properties of ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 224.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 143256173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).