N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine

C6H14N4 — CID 6850505

IUPACN-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
SMILESCNN=C(C)C(C)=NNC
InChIInChI=1S/C6H14N4/c1-5(9-7-3)6(2)10-8-4/h7-8H,1-4H3
InChIKeyNKEPKENBPZYGOI-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.18
Rot. Bonds3

About N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine

N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine (PubChem CID 6850505) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
PubChem CID6850505
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC NameN-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
SMILESCNN=C(C)C(C)=NNC
InChIInChI=1S/C6H14N4/c1-5(9-7-3)6(2)10-8-4/h7-8H,1-4H3
InChIKeyNKEPKENBPZYGOI-UHFFFAOYSA-N
XLogP0.18
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine?
The IUPAC name of N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine (CID 6850505) is N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine?
The canonical SMILES for N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine is CNN=C(C)C(C)=NNC.
What is the InChIKey of N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine?
The InChIKey is NKEPKENBPZYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-5(9-7-3)6(2)10-8-4/h7-8H,1-4H3.
What are the key properties of N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine?
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine has a molecular weight of 142.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine is sourced from PubChem (CID 6850505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).