N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane

C21H38N2 — CID 142177969

IUPACN,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane
SMILESC/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C.CC.CC
InChIInChI=1S/C17H26N2.2C2H6/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4;2*1-2/h6-16H,1-5H3;2*1-2H3/b8-6-,11-7-,12-9-,14-10+,17-13+,18-15+;;
InChIKeyGEMXIWYNMQKAJO-OQCYLFNGSA-N
MW318.55 g/mol
LogP6.21
Rot. Bonds7

About N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane

N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane (PubChem CID 142177969) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane
PubChem CID142177969
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC NameN,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane
SMILESC/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C.CC.CC
InChIInChI=1S/C17H26N2.2C2H6/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4;2*1-2/h6-16H,1-5H3;2*1-2H3/b8-6-,11-7-,12-9-,14-10+,17-13+,18-15+;;
InChIKeyGEMXIWYNMQKAJO-OQCYLFNGSA-N
XLogP6.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
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'}

Analyze N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane with MolForge

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Related Compounds

N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide
CID 142933945
1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
CID 134526418
ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
CID 143929987
ethane;1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine;propane
CID 169233257
N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
CID 170199746
(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine
CID 174356829
N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide
CID 22898444
N-buta-2,3-dien-2-yl-N'-(6-butan-2-ylidenecyclohexa-1,4-dien-1-yl)-N-methylmethanimidamide
CID 136080075
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide
CID 142177970
N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
CID 143929988

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane?
The IUPAC name of N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane (CID 142177969) is N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane.
What is the SMILES notation for N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane?
The canonical SMILES for N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane is C/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C.CC.CC.
What is the InChIKey of N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane?
The InChIKey is GEMXIWYNMQKAJO-OQCYLFNGSA-N. The full InChI is InChI=1S/C17H26N2.2C2H6/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4;2*1-2/h6-16H,1-5H3;2*1-2H3/b8-6-,11-7-,12-9-,14-10+,17-13+,18-15+;;.
What are the key properties of N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane?
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane has a molecular weight of 318.55 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane is sourced from PubChem (CID 142177969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).