N-ethyl-N-methylbuta-1,3-dien-2-amine

C7H13N — CID 123199652

IUPACN-ethyl-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)CC
InChIInChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h5H,1,3,6H2,2,4H3
InChIKeyPENSXYNNLCJLCZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.64
Rot. Bonds3

About N-ethyl-N-methylbuta-1,3-dien-2-amine

N-ethyl-N-methylbuta-1,3-dien-2-amine (PubChem CID 123199652) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethyl-N-methylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methylbuta-1,3-dien-2-amine
PubChem CID123199652
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethyl-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)CC
InChIInChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h5H,1,3,6H2,2,4H3
InChIKeyPENSXYNNLCJLCZ-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methylidenepyridine
CID 14963017
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
N-methyl-2,5-dimethylene-2,5-dihydropyrrole
CID 23381921
3-fluoro-N,N-bis(prop-2-enyl)buta-1,3-dien-2-amine
CID 155236766
N,N-diethylcyclooctatetraenamine
CID 134994848
N,N-diethylpenta-1,3-dien-3-amine
CID 6713340
N,N-dimethylpenta-1,3-dien-3-amine
CID 6713359
lithium N,N-diethylaniline
CID 11182731
N,N-Diethylprop-1-en-2-amine
CID 12570651
1,6-Dimethylpyridine
CID 17876667
1-ethyl-6-methyl-2H-pyridine
CID 17995825
N-ethyl-N-methylprop-1-en-2-amine
CID 19350350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylbuta-1,3-dien-2-amine?
The IUPAC name of N-ethyl-N-methylbuta-1,3-dien-2-amine (CID 123199652) is N-ethyl-N-methylbuta-1,3-dien-2-amine.
What is the SMILES notation for N-ethyl-N-methylbuta-1,3-dien-2-amine?
The canonical SMILES for N-ethyl-N-methylbuta-1,3-dien-2-amine is C=CC(=C)N(C)CC.
What is the InChIKey of N-ethyl-N-methylbuta-1,3-dien-2-amine?
The InChIKey is PENSXYNNLCJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h5H,1,3,6H2,2,4H3.
What are the key properties of N-ethyl-N-methylbuta-1,3-dien-2-amine?
N-ethyl-N-methylbuta-1,3-dien-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylbuta-1,3-dien-2-amine is sourced from PubChem (CID 123199652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).