(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide

C12H21N3 — CID 129302968

IUPAC(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
SMILESC=C/C=C/NC(/C=C\CC(C)NC)=N\C
InChIInChI=1S/C12H21N3/c1-5-6-10-15-12(14-4)9-7-8-11(2)13-3/h5-7,9-11,13H,1,8H2,2-4H3,(H,14,15)/b9-7-,10-6+
InChIKeyVPGKCTDTLIBVGT-ODUODFHUSA-N
MW207.32 g/mol
LogP1.86
Rot. Bonds6

About (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide

(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide (PubChem CID 129302968) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
PubChem CID129302968
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
SMILESC=C/C=C/NC(/C=C\CC(C)NC)=N\C
InChIInChI=1S/C12H21N3/c1-5-6-10-15-12(14-4)9-7-8-11(2)13-3/h5-7,9-11,13H,1,8H2,2-4H3,(H,14,15)/b9-7-,10-6+
InChIKeyVPGKCTDTLIBVGT-ODUODFHUSA-N
XLogP1.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.86
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

(4Z,6Z,9Z,11Z)-N-methyl-8-methylidenetetradeca-4,6,9,11,13-pentaen-2-amine
CID 146492350
4-(methylamino)pent-1-en-1-ol;hydrochloride
CID 173080856
N-methylhept-4-en-2-amine
CID 123748755
N-[(1E)-buta-1,3-dienyl]-2-methylpropanamide
CID 89223729
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513
5-(methylamino)hex-1-en-3-ol
CID 143813054
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
CID 143658325
(3Z)-6-methyl-N-[(1E,3Z)-5-methylhexa-1,3,5-trienyl]hepta-1,3-dien-2-amine
CID 170143241
(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide?
The IUPAC name of (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide (CID 129302968) is (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide.
What is the SMILES notation for (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide?
The canonical SMILES for (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide is C=C/C=C/NC(/C=C\CC(C)NC)=N\C.
What is the InChIKey of (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide?
The InChIKey is VPGKCTDTLIBVGT-ODUODFHUSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-10-15-12(14-4)9-7-8-11(2)13-3/h5-7,9-11,13H,1,8H2,2-4H3,(H,14,15)/b9-7-,10-6+.
What are the key properties of (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide?
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide has a molecular weight of 207.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide is sourced from PubChem (CID 129302968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).