N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

C7H14N2 — CID 143700359

IUPACN'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\C)N/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h5-6H,4H2,1-3H3,(H,8,9)/b7-5+
InChIKeyGJNJDMSVUXTBHD-FNORWQNLSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds3

About N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (PubChem CID 143700359) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
PubChem CID143700359
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\C)N/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h5-6H,4H2,1-3H3,(H,8,9)/b7-5+
InChIKeyGJNJDMSVUXTBHD-FNORWQNLSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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

4,6-Dimethyl-6-chloropyrimidine
CID 129797647
InChI=1/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9
CID 5324921
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (CID 143700359) is N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is CC/C=C(\C)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The InChIKey is GJNJDMSVUXTBHD-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-7(2)9-6-8-3/h5-6H,4H2,1-3H3,(H,8,9)/b7-5+.
What are the key properties of N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 143700359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).