N,N-dimethylbuta-1,2,3-trien-1-amine

C6H9N — CID 12840186

IUPACN,N-dimethylbuta-1,2,3-trien-1-amine
SMILESC=C=C=CN(C)C
InChIInChI=1S/C6H9N/c1-4-5-6-7(2)3/h6H,1H2,2-3H3
InChIKeyVAJSKXCHNDFLMS-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.00
Rot. Bonds1

About N,N-dimethylbuta-1,2,3-trien-1-amine

N,N-dimethylbuta-1,2,3-trien-1-amine (PubChem CID 12840186) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N,N-dimethylbuta-1,2,3-trien-1-amine.

Molecular Properties

Compound NameN,N-dimethylbuta-1,2,3-trien-1-amine
PubChem CID12840186
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN,N-dimethylbuta-1,2,3-trien-1-amine
SMILESC=C=C=CN(C)C
InChIInChI=1S/C6H9N/c1-4-5-6-7(2)3/h6H,1H2,2-3H3
InChIKeyVAJSKXCHNDFLMS-UHFFFAOYSA-N
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbuta-1,2,3-trien-1-amine?
The IUPAC name of N,N-dimethylbuta-1,2,3-trien-1-amine (CID 12840186) is N,N-dimethylbuta-1,2,3-trien-1-amine.
What is the SMILES notation for N,N-dimethylbuta-1,2,3-trien-1-amine?
The canonical SMILES for N,N-dimethylbuta-1,2,3-trien-1-amine is C=C=C=CN(C)C.
What is the InChIKey of N,N-dimethylbuta-1,2,3-trien-1-amine?
The InChIKey is VAJSKXCHNDFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-4-5-6-7(2)3/h6H,1H2,2-3H3.
What are the key properties of N,N-dimethylbuta-1,2,3-trien-1-amine?
N,N-dimethylbuta-1,2,3-trien-1-amine has a molecular weight of 95.14 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbuta-1,2,3-trien-1-amine is sourced from PubChem (CID 12840186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).