N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide

C6H13N3 — CID 142272967

IUPACN-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide
SMILESC=C(CCN)N/C=N/C
InChIInChI=1S/C6H13N3/c1-6(3-4-7)9-5-8-2/h5H,1,3-4,7H2,2H3,(H,8,9)
InChIKeyHGIVAHLKOQIMLA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds4

About N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide

N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide (PubChem CID 142272967) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide
PubChem CID142272967
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide
SMILESC=C(CCN)N/C=N/C
InChIInChI=1S/C6H13N3/c1-6(3-4-7)9-5-8-2/h5H,1,3-4,7H2,2H3,(H,8,9)
InChIKeyHGIVAHLKOQIMLA-UHFFFAOYSA-N
XLogP0.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide (CID 142272967) is N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide is C=C(CCN)N/C=N/C.
What is the InChIKey of N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide?
The InChIKey is HGIVAHLKOQIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(3-4-7)9-5-8-2/h5H,1,3-4,7H2,2H3,(H,8,9).
What are the key properties of N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide?
N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobut-1-en-2-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 142272967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).