N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide

C9H17N3 — CID 138509392

IUPACN-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C/CC(C)/C=C/N
InChIInChI=1S/C9H17N3/c1-8(4-6-10)5-7-12-9(2)11-3/h4,6-8H,5,10H2,1-3H3/b6-4+,11-9+,12-7+
InChIKeyYPJJHPZYTSFEMA-UJCGJXGCSA-N
MW167.26 g/mol
LogP1.60
Rot. Bonds3

About N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide

N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide (PubChem CID 138509392) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide
PubChem CID138509392
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C/CC(C)/C=C/N
InChIInChI=1S/C9H17N3/c1-8(4-6-10)5-7-12-9(2)11-3/h4,6-8H,5,10H2,1-3H3/b6-4+,11-9+,12-7+
InChIKeyYPJJHPZYTSFEMA-UJCGJXGCSA-N
XLogP1.60
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide?
The IUPAC name of N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide (CID 138509392) is N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide is C/N=C(C)/N=C/CC(C)/C=C/N.
What is the InChIKey of N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide?
The InChIKey is YPJJHPZYTSFEMA-UJCGJXGCSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(4-6-10)5-7-12-9(2)11-3/h4,6-8H,5,10H2,1-3H3/b6-4+,11-9+,12-7+.
What are the key properties of N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide?
N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide is sourced from PubChem (CID 138509392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).