methyl-[(E)-2-methylbut-1-enyl]azanide

C6H12N- — CID 58555135

IUPACmethyl-[(E)-2-methylbut-1-enyl]azanide
SMILESCC/C(C)=C/[N-]C
InChIInChI=1S/C6H12N/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/q-1/b6-5+
InChIKeyUVMKQOVYQKBENU-AATRIKPKSA-N
MW98.17 g/mol
LogP2.30
Rot. Bonds2

About methyl-[(E)-2-methylbut-1-enyl]azanide

methyl-[(E)-2-methylbut-1-enyl]azanide (PubChem CID 58555135) has the molecular formula C6H12N- and a molecular weight of 98.17 g/mol. Its IUPAC name is methyl-[(E)-2-methylbut-1-enyl]azanide.

Molecular Properties

Compound Namemethyl-[(E)-2-methylbut-1-enyl]azanide
PubChem CID58555135
Molecular FormulaC6H12N-
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namemethyl-[(E)-2-methylbut-1-enyl]azanide
SMILESCC/C(C)=C/[N-]C
InChIInChI=1S/C6H12N/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/q-1/b6-5+
InChIKeyUVMKQOVYQKBENU-AATRIKPKSA-N
XLogP2.30
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-2-methylbut-1-enyl]azanide?
The IUPAC name of methyl-[(E)-2-methylbut-1-enyl]azanide (CID 58555135) is methyl-[(E)-2-methylbut-1-enyl]azanide.
What is the SMILES notation for methyl-[(E)-2-methylbut-1-enyl]azanide?
The canonical SMILES for methyl-[(E)-2-methylbut-1-enyl]azanide is CC/C(C)=C/[N-]C.
What is the InChIKey of methyl-[(E)-2-methylbut-1-enyl]azanide?
The InChIKey is UVMKQOVYQKBENU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12N/c1-4-6(2)5-7-3/h5H,4H2,1-3H3/q-1/b6-5+.
What are the key properties of methyl-[(E)-2-methylbut-1-enyl]azanide?
methyl-[(E)-2-methylbut-1-enyl]azanide has a molecular weight of 98.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-2-methylbut-1-enyl]azanide is sourced from PubChem (CID 58555135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).