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

C9H19N — CID 12616300

IUPACN,N-diethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(C)N(CC)CC
InChIInChI=1S/C9H19N/c1-6-10(7-2)9(5)8(3)4/h9H,3,6-7H2,1-2,4-5H3
InChIKeyJIJPGGMBEBZWEW-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.29
Rot. Bonds4

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

N,N-diethyl-3-methylbut-3-en-2-amine (PubChem CID 12616300) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,N-diethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methylbut-3-en-2-amine
PubChem CID12616300
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,N-diethyl-3-methylbut-3-en-2-amine
SMILESC=C(C)C(C)N(CC)CC
InChIInChI=1S/C9H19N/c1-6-10(7-2)9(5)8(3)4/h9H,3,6-7H2,1-2,4-5H3
InChIKeyJIJPGGMBEBZWEW-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-methylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylbut-3-en-2-amine?
The IUPAC name of N,N-diethyl-3-methylbut-3-en-2-amine (CID 12616300) is N,N-diethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for N,N-diethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for N,N-diethyl-3-methylbut-3-en-2-amine is C=C(C)C(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-methylbut-3-en-2-amine?
The InChIKey is JIJPGGMBEBZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-10(7-2)9(5)8(3)4/h9H,3,6-7H2,1-2,4-5H3.
What are the key properties of N,N-diethyl-3-methylbut-3-en-2-amine?
N,N-diethyl-3-methylbut-3-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 12616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).