3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine

C9H18N2O — CID 149274729

IUPAC3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
SMILESC/N=C(\C)C=C(N)OCC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)6-12-9(10)5-8(3)11-4/h5,7H,6,10H2,1-4H3/b9-5?,11-8+
InChIKeyOKWBHMVUUCDADI-ZTCXAQHOSA-N
MW170.26 g/mol
LogP1.55
Rot. Bonds4

About 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine

3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine (PubChem CID 149274729) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
PubChem CID149274729
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
SMILESC/N=C(\C)C=C(N)OCC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)6-12-9(10)5-8(3)11-4/h5,7H,6,10H2,1-4H3/b9-5?,11-8+
InChIKeyOKWBHMVUUCDADI-ZTCXAQHOSA-N
XLogP1.55
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine?
The IUPAC name of 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine (CID 149274729) is 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine.
What is the SMILES notation for 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine?
The canonical SMILES for 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine is C/N=C(\C)C=C(N)OCC(C)C.
What is the InChIKey of 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine?
The InChIKey is OKWBHMVUUCDADI-ZTCXAQHOSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)6-12-9(10)5-8(3)11-4/h5,7H,6,10H2,1-4H3/b9-5?,11-8+.
What are the key properties of 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine?
3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine has a molecular weight of 170.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine is sourced from PubChem (CID 149274729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).