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

C17H26N2 — CID 142177970

IUPACN,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide
SMILESC/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C
InChIInChI=1S/C17H26N2/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4/h6-16H,1-5H3/b8-6-,11-7-,12-9-,14-10+,17-13+,18-15+
InChIKeyVAZGBVNCCWKHFB-LDXLTYGBSA-N
MW258.41 g/mol
LogP4.16
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

N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide (PubChem CID 142177970) has the molecular formula C17H26N2 and a molecular weight of 258.41 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.

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
PubChem CID142177970
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide
SMILESC/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C
InChIInChI=1S/C17H26N2/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4/h6-16H,1-5H3/b8-6-,11-7-,12-9-,14-10+,17-13+,18-15+
InChIKeyVAZGBVNCCWKHFB-LDXLTYGBSA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.16
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'}

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Related Compounds

N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide
CID 142933945
(4S,5Z,7Z)-1,4,9-trimethyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]-4,9-dihydro-1,3-diazonine
CID 129163450
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
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
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
CID 143929987
cyclopenta-1,3-diene;N-ethyl-N-(propan-2-yliminomethyl)propan-2-amine;propane;yttrium(3+)
CID 164523945
cyclopenta-1,3-diene;N-ethyl-N-(propan-2-yliminomethyl)propan-2-amine;gadolinium(3+);propane
CID 164523946
N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
CID 170199746
N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
CID 170615933
N,N'-dimethyl-N-[(E)-oct-4-en-3-yl]methanimidamide
CID 173602719
(5Z,7Z)-1-ethyl-4,4,9,9-tetramethyl-1,3-diazonine
CID 174356829

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?
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 (CID 142177970) is N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide.
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?
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 is C/C=C\C=C(/C=C\C)\C=C\C=C/C(C)N(C)/C=N/C.
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?
The InChIKey is VAZGBVNCCWKHFB-LDXLTYGBSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-8-13-17(11-7-2)14-10-9-12-16(3)19(5)15-18-4/h6-16H,1-5H3/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?
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide has a molecular weight of 258.41 g/mol, XLogP of 4.16, 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 is sourced from PubChem (CID 142177970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).