N'-methyl-N-prop-2-enylidenebutanimidamide

C8H14N2 — CID 134462728

IUPACN'-methyl-N-prop-2-enylidenebutanimidamide
SMILESC=C/C=N/C(CCC)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+
InChIKeyUNVWHZIINNOGKX-DGLUDJRXSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About N'-methyl-N-prop-2-enylidenebutanimidamide

N'-methyl-N-prop-2-enylidenebutanimidamide (PubChem CID 134462728) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-prop-2-enylidenebutanimidamide.

Molecular Properties

Compound NameN'-methyl-N-prop-2-enylidenebutanimidamide
PubChem CID134462728
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-prop-2-enylidenebutanimidamide
SMILESC=C/C=N/C(CCC)=N/C
InChIInChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+
InChIKeyUNVWHZIINNOGKX-DGLUDJRXSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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'}

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Related Compounds

4,4-difluoro-N'-methyl-N-prop-2-enylidenepentanimidamide
CID 167172059
2-Propenimidamide, N-2-propenylidene-N'-2-propenyl-
CID 564453
N'-ethyl-N-prop-2-enylidenemethanimidamide
CID 89196565
N'-methyl-N-prop-2-enylideneethanimidamide
CID 89331290
Metformin Impurity 61
CID 89899673
N-[(Z)-but-2-enylidene]-N'-methylmethanimidamide
CID 117620451
N-prop-2-enylidene-N'-propylethanimidamide
CID 123246281
N'-methyl-N-prop-2-enylidenemethanimidamide
CID 123318628
N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide
CID 123485444
N'-(2-methylpropyl)-N-prop-2-enylideneethanimidamide
CID 123694238
N'-(3-methylbutyl)-N-prop-2-enylidenemethanimidamide
CID 126513641
N'-prop-1-enyl-N-prop-2-enylideneethanimidamide
CID 141783951

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-prop-2-enylidenebutanimidamide?
The IUPAC name of N'-methyl-N-prop-2-enylidenebutanimidamide (CID 134462728) is N'-methyl-N-prop-2-enylidenebutanimidamide.
What is the SMILES notation for N'-methyl-N-prop-2-enylidenebutanimidamide?
The canonical SMILES for N'-methyl-N-prop-2-enylidenebutanimidamide is C=C/C=N/C(CCC)=N/C.
What is the InChIKey of N'-methyl-N-prop-2-enylidenebutanimidamide?
The InChIKey is UNVWHZIINNOGKX-DGLUDJRXSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-8(9-3)10-7-5-2/h5,7H,2,4,6H2,1,3H3/b9-8+,10-7+.
What are the key properties of N'-methyl-N-prop-2-enylidenebutanimidamide?
N'-methyl-N-prop-2-enylidenebutanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-2-enylidenebutanimidamide is sourced from PubChem (CID 134462728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).