4-(iminomethylideneamino)-N-methylbutan-2-amine

C6H13N3 — CID 88601854

IUPAC4-(iminomethylideneamino)-N-methylbutan-2-amine
SMILESCNC(C)CCN=C=N
InChIInChI=1S/C6H13N3/c1-6(8-2)3-4-9-5-7/h6-8H,3-4H2,1-2H3
InChIKeyIRLUSXRRZDAAGZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds4

About 4-(iminomethylideneamino)-N-methylbutan-2-amine

4-(iminomethylideneamino)-N-methylbutan-2-amine (PubChem CID 88601854) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(iminomethylideneamino)-N-methylbutan-2-amine
PubChem CID88601854
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-(iminomethylideneamino)-N-methylbutan-2-amine
SMILESCNC(C)CCN=C=N
InChIInChI=1S/C6H13N3/c1-6(8-2)3-4-9-5-7/h6-8H,3-4H2,1-2H3
InChIKeyIRLUSXRRZDAAGZ-UHFFFAOYSA-N
XLogP0.74
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(iminomethylideneamino)-N-methylbutan-2-amine?
The IUPAC name of 4-(iminomethylideneamino)-N-methylbutan-2-amine (CID 88601854) is 4-(iminomethylideneamino)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(iminomethylideneamino)-N-methylbutan-2-amine?
The canonical SMILES for 4-(iminomethylideneamino)-N-methylbutan-2-amine is CNC(C)CCN=C=N.
What is the InChIKey of 4-(iminomethylideneamino)-N-methylbutan-2-amine?
The InChIKey is IRLUSXRRZDAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(8-2)3-4-9-5-7/h6-8H,3-4H2,1-2H3.
What are the key properties of 4-(iminomethylideneamino)-N-methylbutan-2-amine?
4-(iminomethylideneamino)-N-methylbutan-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-N-methylbutan-2-amine is sourced from PubChem (CID 88601854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).