N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide

C8H14N2 — CID 142811977

IUPACN'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(C)=C\N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-5-7(2)6-10-8(3)9-4/h5-6H,1H2,2-4H3,(H,9,10)/b7-6-
InChIKeyNGKLNBLEOVNDFL-SREVYHEPSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds2

About N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide

N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide (PubChem CID 142811977) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
PubChem CID142811977
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(C)=C\N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-5-7(2)6-10-8(3)9-4/h5-6H,1H2,2-4H3,(H,9,10)/b7-6-
InChIKeyNGKLNBLEOVNDFL-SREVYHEPSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide
CID 163443412
(1Z)-N-tert-butyl-2-methylbuta-1,3-dien-1-amine
CID 169228659
(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine
CID 142820034
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
N-ethenyl-N'-methyl-2-oxoethanimidamide
CID 142130799
N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
CID 171835163
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
[(1E)-2-methylbuta-1,3-dienyl]phosphane
CID 118945946
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187
N,N'-dimethylethanimidamide;ethane
CID 176553571
N-ethenyl-N'-iodoethanimidamide
CID 154530145
N-[(Z)-ethylideneamino]-N'-methylethanimidamide
CID 89218038

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide (CID 142811977) is N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide is C=C/C(C)=C\N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is NGKLNBLEOVNDFL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7(2)6-10-8(3)9-4/h5-6H,1H2,2-4H3,(H,9,10)/b7-6-.
What are the key properties of N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide?
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 142811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).