methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide

C13H23N3 — CID 143658324

IUPACmethanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
SMILESC=CC=CC/C=C\C(=C)N/C(C)=N/C.CN
InChIInChI=1S/C12H18N2.CH5N/c1-5-6-7-8-9-10-11(2)14-12(3)13-4;1-2/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14);2H2,1H3/b7-6?,10-9-;
InChIKeyXVBBVYSGPFYEKW-TYSNOBPHSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds5

About methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide

methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide (PubChem CID 143658324) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide.

Molecular Properties

Compound Namemethanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
PubChem CID143658324
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Namemethanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
SMILESC=CC=CC/C=C\C(=C)N/C(C)=N/C.CN
InChIInChI=1S/C12H18N2.CH5N/c1-5-6-7-8-9-10-11(2)14-12(3)13-4;1-2/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14);2H2,1H3/b7-6?,10-9-;
InChIKeyXVBBVYSGPFYEKW-TYSNOBPHSA-N
XLogP2.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(6-chloro-5-fluoroocta-1,3,5-trien-2-yl)-N'-(methyliminomethyl)ethanimidamide
CID 123176518
N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide
CID 123344635
8-Methyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 123430510
6-Buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 123490451
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618

Frequently Asked Questions

What is the IUPAC name of methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The IUPAC name of methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide (CID 143658324) is methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide.
What is the SMILES notation for methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The canonical SMILES for methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide is C=CC=CC/C=C\C(=C)N/C(C)=N/C.CN.
What is the InChIKey of methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
The InChIKey is XVBBVYSGPFYEKW-TYSNOBPHSA-N. The full InChI is InChI=1S/C12H18N2.CH5N/c1-5-6-7-8-9-10-11(2)14-12(3)13-4;1-2/h5-7,9-10H,1-2,8H2,3-4H3,(H,13,14);2H2,1H3/b7-6?,10-9-;.
What are the key properties of methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide?
methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide has a molecular weight of 221.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide is sourced from PubChem (CID 143658324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).