N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide

C6H13N3 — CID 143038048

IUPACN-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)/C=C/CCN
InChIInChI=1S/C6H13N3/c1-9(6-8)5-3-2-4-7/h3,5-6,8H,2,4,7H2,1H3/b5-3+,8-6+
InChIKeyFZEHAFLTDWXXAB-QFXXITGJSA-N
MW127.19 g/mol
LogP0.39
Rot. Bonds4

About N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide

N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide (PubChem CID 143038048) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide
PubChem CID143038048
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)/C=C/CCN
InChIInChI=1S/C6H13N3/c1-9(6-8)5-3-2-4-7/h3,5-6,8H,2,4,7H2,1H3/b5-3+,8-6+
InChIKeyFZEHAFLTDWXXAB-QFXXITGJSA-N
XLogP0.39
TPSA53.11 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 ≤ 50.39
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-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide?
The IUPAC name of N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide (CID 143038048) is N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide?
The canonical SMILES for N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide is [H]/N=C/N(C)/C=C/CCN.
What is the InChIKey of N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide?
The InChIKey is FZEHAFLTDWXXAB-QFXXITGJSA-N. The full InChI is InChI=1S/C6H13N3/c1-9(6-8)5-3-2-4-7/h3,5-6,8H,2,4,7H2,1H3/b5-3+,8-6+.
What are the key properties of N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide?
N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-1-enyl]-N-methylmethanimidamide is sourced from PubChem (CID 143038048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).