3-methyl-N-(3-methylbutylideneamino)butan-1-imine

C10H20N2 — CID 73166085

IUPAC3-methyl-N-(3-methylbutylideneamino)butan-1-imine
SMILESCC(C)CC=NN=CCC(C)C
InChIInChI=1S/C10H20N2/c1-9(2)5-7-11-12-8-6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyLCWIRACXFTVDLG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.14
Rot. Bonds5

About 3-methyl-N-(3-methylbutylideneamino)butan-1-imine

3-methyl-N-(3-methylbutylideneamino)butan-1-imine (PubChem CID 73166085) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutylideneamino)butan-1-imine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutylideneamino)butan-1-imine
PubChem CID73166085
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-methyl-N-(3-methylbutylideneamino)butan-1-imine
SMILESCC(C)CC=NN=CCC(C)C
InChIInChI=1S/C10H20N2/c1-9(2)5-7-11-12-8-6-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyLCWIRACXFTVDLG-UHFFFAOYSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-methyl-N-(3-methylbutylideneamino)butan-1-imine?
The IUPAC name of 3-methyl-N-(3-methylbutylideneamino)butan-1-imine (CID 73166085) is 3-methyl-N-(3-methylbutylideneamino)butan-1-imine.
What is the SMILES notation for 3-methyl-N-(3-methylbutylideneamino)butan-1-imine?
The canonical SMILES for 3-methyl-N-(3-methylbutylideneamino)butan-1-imine is CC(C)CC=NN=CCC(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbutylideneamino)butan-1-imine?
The InChIKey is LCWIRACXFTVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)5-7-11-12-8-6-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-(3-methylbutylideneamino)butan-1-imine?
3-methyl-N-(3-methylbutylideneamino)butan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutylideneamino)butan-1-imine is sourced from PubChem (CID 73166085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).