N-methyl-N-prop-1-en-2-ylbutanimidamide

C8H16N2 — CID 143110742

IUPACN-methyl-N-prop-1-en-2-ylbutanimidamide
SMILES[H]/N=C(\CCC)N(C)C(=C)C
InChIInChI=1S/C8H16N2/c1-5-6-8(9)10(4)7(2)3/h9H,2,5-6H2,1,3-4H3/b9-8+
InChIKeyRZLTVPSEJXZTMD-CMDGGOBGSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-prop-1-en-2-ylbutanimidamide

N-methyl-N-prop-1-en-2-ylbutanimidamide (PubChem CID 143110742) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N-prop-1-en-2-ylbutanimidamide.

Molecular Properties

Compound NameN-methyl-N-prop-1-en-2-ylbutanimidamide
PubChem CID143110742
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N-prop-1-en-2-ylbutanimidamide
SMILES[H]/N=C(\CCC)N(C)C(=C)C
InChIInChI=1S/C8H16N2/c1-5-6-8(9)10(4)7(2)3/h9H,2,5-6H2,1,3-4H3/b9-8+
InChIKeyRZLTVPSEJXZTMD-CMDGGOBGSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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'}

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Related Compounds

N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
CID 123520006
(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium
CID 123792266
N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
CID 135276889
N-methyl-N-pent-1-en-2-ylethanimidamide
CID 138711688
1-Ethyl-3,5-dimethylpyrazin-2-imine
CID 163653575
Ethane;1-prop-1-en-2-ylpiperidin-2-imine
CID 172575743
2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
CID 174243918
1-But-1-en-2-ylpyrrolidin-2-imine;ethane
CID 176660296
N-methyl-N-prop-1-en-2-ylcyclobutanecarboximidamide
CID 143110793
1-Prop-1-en-2-ylpiperidin-2-imine
CID 172575744
1-But-1-en-2-ylpyrrolidin-2-imine
CID 176660297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-1-en-2-ylbutanimidamide?
The IUPAC name of N-methyl-N-prop-1-en-2-ylbutanimidamide (CID 143110742) is N-methyl-N-prop-1-en-2-ylbutanimidamide.
What is the SMILES notation for N-methyl-N-prop-1-en-2-ylbutanimidamide?
The canonical SMILES for N-methyl-N-prop-1-en-2-ylbutanimidamide is [H]/N=C(\CCC)N(C)C(=C)C.
What is the InChIKey of N-methyl-N-prop-1-en-2-ylbutanimidamide?
The InChIKey is RZLTVPSEJXZTMD-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-6-8(9)10(4)7(2)3/h9H,2,5-6H2,1,3-4H3/b9-8+.
What are the key properties of N-methyl-N-prop-1-en-2-ylbutanimidamide?
N-methyl-N-prop-1-en-2-ylbutanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-1-en-2-ylbutanimidamide is sourced from PubChem (CID 143110742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).