4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine

C10H20N2 — CID 123273342

IUPAC4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine
SMILESCCC(C)/N=C/C=C(C)CNC
InChIInChI=1S/C10H20N2/c1-5-10(3)12-7-6-9(2)8-11-4/h6-7,10-11H,5,8H2,1-4H3/b9-6?,12-7+
InChIKeyLDAWFFRAGHQHIV-NWDZKHQFSA-N
MW168.28 g/mol
LogP2.02
Rot. Bonds5

About 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine

4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine (PubChem CID 123273342) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine
PubChem CID123273342
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine
SMILESCCC(C)/N=C/C=C(C)CNC
InChIInChI=1S/C10H20N2/c1-5-10(3)12-7-6-9(2)8-11-4/h6-7,10-11H,5,8H2,1-4H3/b9-6?,12-7+
InChIKeyLDAWFFRAGHQHIV-NWDZKHQFSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine?
The IUPAC name of 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine (CID 123273342) is 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine.
What is the SMILES notation for 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine?
The canonical SMILES for 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine is CCC(C)/N=C/C=C(C)CNC.
What is the InChIKey of 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine?
The InChIKey is LDAWFFRAGHQHIV-NWDZKHQFSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(3)12-7-6-9(2)8-11-4/h6-7,10-11H,5,8H2,1-4H3/b9-6?,12-7+.
What are the key properties of 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine?
4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylimino-N,2-dimethylbut-2-en-1-amine is sourced from PubChem (CID 123273342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).