methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide

C7H13N2- — CID 58104814

IUPACmethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
SMILESC/N=C(C)/C=C(/C)[N-]C
InChIInChI=1S/C7H13N2/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/q-1/b6-5-,9-7+
InChIKeyHQZSZXUDKXRWGJ-BZWSEGBZSA-N
MW125.19 g/mol
LogP1.98
Rot. Bonds2

About methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide

methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide (PubChem CID 58104814) has the molecular formula C7H13N2- and a molecular weight of 125.19 g/mol. Its IUPAC name is methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide.

Molecular Properties

Compound Namemethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
PubChem CID58104814
Molecular FormulaC7H13N2-
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Namemethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
SMILESC/N=C(C)/C=C(/C)[N-]C
InChIInChI=1S/C7H13N2/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/q-1/b6-5-,9-7+
InChIKeyHQZSZXUDKXRWGJ-BZWSEGBZSA-N
XLogP1.98
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide?
The IUPAC name of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide (CID 58104814) is methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide.
What is the SMILES notation for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide?
The canonical SMILES for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide is C/N=C(C)/C=C(/C)[N-]C.
What is the InChIKey of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide?
The InChIKey is HQZSZXUDKXRWGJ-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H13N2/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/q-1/b6-5-,9-7+.
What are the key properties of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide?
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide has a molecular weight of 125.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide is sourced from PubChem (CID 58104814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).