N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide

C8H16N2 — CID 123627993

IUPACN'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(/C)N/C=N/CC
InChIInChI=1S/C8H16N2/c1-4-6-8(3)10-7-9-5-2/h6-7H,4-5H2,1-3H3,(H,9,10)/b8-6-
InChIKeyCCIKZCFWMLKMOA-VURMDHGXSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds4

About N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide

N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide (PubChem CID 123627993) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
PubChem CID123627993
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
SMILESCC/C=C(/C)N/C=N/CC
InChIInChI=1S/C8H16N2/c1-4-6-8(3)10-7-9-5-2/h6-7H,4-5H2,1-3H3,(H,9,10)/b8-6-
InChIKeyCCIKZCFWMLKMOA-VURMDHGXSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
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

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
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
4,7-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 91513752
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-[(Z)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 123160255
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
CID 123195959
8-Methyl-1,6-dihydro-1,3-diazocin-7-amine
CID 123202821
(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
CID 123208459

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide (CID 123627993) is N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide is CC/C=C(/C)N/C=N/CC.
What is the InChIKey of N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide?
The InChIKey is CCIKZCFWMLKMOA-VURMDHGXSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-6-8(3)10-7-9-5-2/h6-7H,4-5H2,1-3H3,(H,9,10)/b8-6-.
What are the key properties of N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide?
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 123627993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).