3-imino-N,N-dimethylbutan-2-amine

C6H14N2 — CID 54465231

IUPAC3-imino-N,N-dimethylbutan-2-amine
SMILES[H]/N=C(\C)C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6-7H,1-4H3/b7-5+
InChIKeyXEJIQCCEFXPALB-FNORWQNLSA-N
MW114.19 g/mol
LogP0.98
Rot. Bonds2

About 3-imino-N,N-dimethylbutan-2-amine

3-imino-N,N-dimethylbutan-2-amine (PubChem CID 54465231) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-imino-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-imino-N,N-dimethylbutan-2-amine
PubChem CID54465231
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-imino-N,N-dimethylbutan-2-amine
SMILES[H]/N=C(\C)C(C)N(C)C
InChIInChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6-7H,1-4H3/b7-5+
InChIKeyXEJIQCCEFXPALB-FNORWQNLSA-N
XLogP0.98
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.98
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 3-imino-N,N-dimethylbutan-2-amine?
The IUPAC name of 3-imino-N,N-dimethylbutan-2-amine (CID 54465231) is 3-imino-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 3-imino-N,N-dimethylbutan-2-amine?
The canonical SMILES for 3-imino-N,N-dimethylbutan-2-amine is [H]/N=C(\C)C(C)N(C)C.
What is the InChIKey of 3-imino-N,N-dimethylbutan-2-amine?
The InChIKey is XEJIQCCEFXPALB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6(2)8(3)4/h6-7H,1-4H3/b7-5+.
What are the key properties of 3-imino-N,N-dimethylbutan-2-amine?
3-imino-N,N-dimethylbutan-2-amine has a molecular weight of 114.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 54465231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).