N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide

C6H13N3 — CID 89426470

IUPACN'-amino-N-but-1-en-2-yl-N-methylmethanimidamide
SMILESC=C(CC)N(C)/C=N\N
InChIInChI=1S/C6H13N3/c1-4-6(2)9(3)5-8-7/h5H,2,4,7H2,1,3H3/b8-5-
InChIKeyUJJPRHZBPFCCQS-YVMONPNESA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds3

About N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide

N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide (PubChem CID 89426470) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-amino-N-but-1-en-2-yl-N-methylmethanimidamide
PubChem CID89426470
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-amino-N-but-1-en-2-yl-N-methylmethanimidamide
SMILESC=C(CC)N(C)/C=N\N
InChIInChI=1S/C6H13N3/c1-4-6(2)9(3)5-8-7/h5H,2,4,7H2,1,3H3/b8-5-
InChIKeyUJJPRHZBPFCCQS-YVMONPNESA-N
XLogP0.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide?
The IUPAC name of N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide (CID 89426470) is N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide.
What is the SMILES notation for N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide?
The canonical SMILES for N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide is C=C(CC)N(C)/C=N\N.
What is the InChIKey of N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide?
The InChIKey is UJJPRHZBPFCCQS-YVMONPNESA-N. The full InChI is InChI=1S/C6H13N3/c1-4-6(2)9(3)5-8-7/h5H,2,4,7H2,1,3H3/b8-5-.
What are the key properties of N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide?
N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-but-1-en-2-yl-N-methylmethanimidamide is sourced from PubChem (CID 89426470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).