N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide

C9H16N2 — CID 123221162

IUPACN'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
SMILESC=C/N=C/NC(C)=C(C)CC
InChIInChI=1S/C9H16N2/c1-5-8(3)9(4)11-7-10-6-2/h6-7H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyRGCXWNKESXQTHG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide

N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide (PubChem CID 123221162) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
PubChem CID123221162
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
SMILESC=C/N=C/NC(C)=C(C)CC
InChIInChI=1S/C9H16N2/c1-5-8(3)9(4)11-7-10-6-2/h6-7H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyRGCXWNKESXQTHG-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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

8-Methyl-1,6-dihydro-1,3-diazocin-7-amine
CID 123202821
(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
CID 123208459
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-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
(6E)-6-hexan-2-ylidene-1H-pyrimidine
CID 130242037
N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide
CID 130337496
N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
CID 130337498
N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide
CID 134375977
N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
CID 138709659

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide?
The IUPAC name of N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide (CID 123221162) is N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide?
The canonical SMILES for N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide is C=C/N=C/NC(C)=C(C)CC.
What is the InChIKey of N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide?
The InChIKey is RGCXWNKESXQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8(3)9(4)11-7-10-6-2/h6-7H,2,5H2,1,3-4H3,(H,10,11).
What are the key properties of N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide?
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide is sourced from PubChem (CID 123221162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).