3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine

C14H28N2 — CID 123336595

IUPAC3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC(C)C/C=N/C=C(CNC(C)C)C(C)C
InChIInChI=1S/C14H28N2/c1-11(2)7-8-15-9-14(12(3)4)10-16-13(5)6/h8-9,11-13,16H,7,10H2,1-6H3/b14-9?,15-8+
InChIKeyWAOHQFJEKXHGCP-IDIGJEFISA-N
MW224.39 g/mol
LogP3.64
Rot. Bonds7

About 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine

3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 123336595) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID123336595
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC(C)C/C=N/C=C(CNC(C)C)C(C)C
InChIInChI=1S/C14H28N2/c1-11(2)7-8-15-9-14(12(3)4)10-16-13(5)6/h8-9,11-13,16H,7,10H2,1-6H3/b14-9?,15-8+
InChIKeyWAOHQFJEKXHGCP-IDIGJEFISA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine
CID 58523919
3-methyl-N-propyl-3,4-dihydropyridin-4-amine
CID 89313762
(3R)-N-ethyl-3-methyl-3,4-dihydropyridin-4-amine
CID 89313765
N-(3H-pyrrol-4-ylmethyl)ethanamine
CID 118908241
N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine
CID 137383028
(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine
CID 142108612
N,3-diethyl-3,4-dihydropyridin-4-amine;ethane;methane;molecular hydrogen
CID 144168505
[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-propan-2-ylazanium
CID 153364103
N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine
CID 154993224
N-(3,4-dihydropyridin-4-ylmethyl)propan-2-amine
CID 166686708
N-[(3-methyl-3,4-dihydropyridin-4-yl)methyl]propan-2-amine
CID 166750546
(Z)-3-methyl-4-(propylideneamino)but-3-en-2-amine
CID 166777050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine (CID 123336595) is 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine is CC(C)C/C=N/C=C(CNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is WAOHQFJEKXHGCP-IDIGJEFISA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)7-8-15-9-14(12(3)4)10-16-13(5)6/h8-9,11-13,16H,7,10H2,1-6H3/b14-9?,15-8+.
What are the key properties of 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine?
3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 123336595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).