N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide

C10H16N2 — CID 123513176

IUPACN-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C(C)/C=C\N=C\NC(C)=CC
InChIInChI=1S/C10H16N2/c1-5-10(4)12-8-11-7-6-9(2)3/h5-8H,2H2,1,3-4H3,(H,11,12)/b7-6-,10-5?
InChIKeyRFIHPIFMRPPTCS-MHOVPGDZSA-N
MW164.25 g/mol
LogP2.62
Rot. Bonds4

About N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide

N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide (PubChem CID 123513176) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
PubChem CID123513176
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C(C)/C=C\N=C\NC(C)=CC
InChIInChI=1S/C10H16N2/c1-5-10(4)12-8-11-7-6-9(2)3/h5-8H,2H2,1,3-4H3,(H,11,12)/b7-6-,10-5?
InChIKeyRFIHPIFMRPPTCS-MHOVPGDZSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.62
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide
CID 123669417
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide (CID 123513176) is N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide is C=C(C)/C=C\N=C\NC(C)=CC.
What is the InChIKey of N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
The InChIKey is RFIHPIFMRPPTCS-MHOVPGDZSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10(4)12-8-11-7-6-9(2)3/h5-8H,2H2,1,3-4H3,(H,11,12)/b7-6-,10-5?.
What are the key properties of N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide?
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 123513176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).