N,N-diethyl-2-methylbut-3-en-1-amine

C9H19N — CID 12610267

IUPACN,N-diethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)CN(CC)CC
InChIInChI=1S/C9H19N/c1-5-9(4)8-10(6-2)7-3/h5,9H,1,6-8H2,2-4H3
InChIKeyXGLFRMSLOLDUBS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.15
Rot. Bonds5

About N,N-diethyl-2-methylbut-3-en-1-amine

N,N-diethyl-2-methylbut-3-en-1-amine (PubChem CID 12610267) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,N-diethyl-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylbut-3-en-1-amine
PubChem CID12610267
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,N-diethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)CN(CC)CC
InChIInChI=1S/C9H19N/c1-5-9(4)8-10(6-2)7-3/h5,9H,1,6-8H2,2-4H3
InChIKeyXGLFRMSLOLDUBS-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylbut-3-en-1-amine?
The IUPAC name of N,N-diethyl-2-methylbut-3-en-1-amine (CID 12610267) is N,N-diethyl-2-methylbut-3-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-methylbut-3-en-1-amine?
The canonical SMILES for N,N-diethyl-2-methylbut-3-en-1-amine is C=CC(C)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylbut-3-en-1-amine?
The InChIKey is XGLFRMSLOLDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-9(4)8-10(6-2)7-3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N,N-diethyl-2-methylbut-3-en-1-amine?
N,N-diethyl-2-methylbut-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylbut-3-en-1-amine is sourced from PubChem (CID 12610267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).