N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide

C10H20N4 — CID 123321964

IUPACN-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide
SMILESCC=C(C)N/C(=N\C)N/C(C)=N/CC
InChIInChI=1S/C10H20N4/c1-6-8(3)13-10(11-5)14-9(4)12-7-2/h6H,7H2,1-5H3,(H2,11,12,13,14)
InChIKeyMBKGMIKTKVCOCY-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.51
Rot. Bonds2

About N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide

N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide (PubChem CID 123321964) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide.

Molecular Properties

Compound NameN-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide
PubChem CID123321964
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide
SMILESCC=C(C)N/C(=N\C)N/C(C)=N/CC
InChIInChI=1S/C10H20N4/c1-6-8(3)13-10(11-5)14-9(4)12-7-2/h6H,7H2,1-5H3,(H2,11,12,13,14)
InChIKeyMBKGMIKTKVCOCY-UHFFFAOYSA-N
XLogP1.51
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide
CID 87946086
N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
CID 91073028
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703
(3Z)-1-[(Z)-but-2-en-2-yl]-3-ethylidene-2-methylguanidine
CID 141794894
N-[(Z)-but-2-en-2-yl]-N'-propylpropanimidamide
CID 155462481

Frequently Asked Questions

What is the IUPAC name of N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide?
The IUPAC name of N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide (CID 123321964) is N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide.
What is the SMILES notation for N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide?
The canonical SMILES for N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide is CC=C(C)N/C(=N\C)N/C(C)=N/CC.
What is the InChIKey of N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide?
The InChIKey is MBKGMIKTKVCOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-6-8(3)13-10(11-5)14-9(4)12-7-2/h6H,7H2,1-5H3,(H2,11,12,13,14).
What are the key properties of N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide?
N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide has a molecular weight of 196.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide is sourced from PubChem (CID 123321964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).