dimethylamino(3-methylbut-1-en-2-yl)azanide

C7H15N2- — CID 102036206

IUPACdimethylamino(3-methylbut-1-en-2-yl)azanide
SMILESC=C([N-]N(C)C)C(C)C
InChIInChI=1S/C7H15N2/c1-6(2)7(3)8-9(4)5/h6H,3H2,1-2,4-5H3/q-1
InChIKeyKRSVLXKZZTWKGX-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.01
Rot. Bonds3

About dimethylamino(3-methylbut-1-en-2-yl)azanide

dimethylamino(3-methylbut-1-en-2-yl)azanide (PubChem CID 102036206) has the molecular formula C7H15N2- and a molecular weight of 127.21 g/mol. Its IUPAC name is dimethylamino(3-methylbut-1-en-2-yl)azanide.

Molecular Properties

Compound Namedimethylamino(3-methylbut-1-en-2-yl)azanide
PubChem CID102036206
Molecular FormulaC7H15N2-
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Namedimethylamino(3-methylbut-1-en-2-yl)azanide
SMILESC=C([N-]N(C)C)C(C)C
InChIInChI=1S/C7H15N2/c1-6(2)7(3)8-9(4)5/h6H,3H2,1-2,4-5H3/q-1
InChIKeyKRSVLXKZZTWKGX-UHFFFAOYSA-N
XLogP2.01
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino(3-methylbut-1-en-2-yl)azanide?
The IUPAC name of dimethylamino(3-methylbut-1-en-2-yl)azanide (CID 102036206) is dimethylamino(3-methylbut-1-en-2-yl)azanide.
What is the SMILES notation for dimethylamino(3-methylbut-1-en-2-yl)azanide?
The canonical SMILES for dimethylamino(3-methylbut-1-en-2-yl)azanide is C=C([N-]N(C)C)C(C)C.
What is the InChIKey of dimethylamino(3-methylbut-1-en-2-yl)azanide?
The InChIKey is KRSVLXKZZTWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-6(2)7(3)8-9(4)5/h6H,3H2,1-2,4-5H3/q-1.
What are the key properties of dimethylamino(3-methylbut-1-en-2-yl)azanide?
dimethylamino(3-methylbut-1-en-2-yl)azanide has a molecular weight of 127.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(3-methylbut-1-en-2-yl)azanide is sourced from PubChem (CID 102036206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).