N-ethyl-N,2,3-trimethylbut-2-en-1-amine

C9H19N — CID 135377183

IUPACN-ethyl-N,2,3-trimethylbut-2-en-1-amine
SMILESCCN(C)CC(C)=C(C)C
InChIInChI=1S/C9H19N/c1-6-10(5)7-9(4)8(2)3/h6-7H2,1-5H3
InChIKeyVXZRPKMPGWUSGA-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.29
Rot. Bonds3

About N-ethyl-N,2,3-trimethylbut-2-en-1-amine

N-ethyl-N,2,3-trimethylbut-2-en-1-amine (PubChem CID 135377183) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethyl-N,2,3-trimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2,3-trimethylbut-2-en-1-amine
PubChem CID135377183
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethyl-N,2,3-trimethylbut-2-en-1-amine
SMILESCCN(C)CC(C)=C(C)C
InChIInChI=1S/C9H19N/c1-6-10(5)7-9(4)8(2)3/h6-7H2,1-5H3
InChIKeyVXZRPKMPGWUSGA-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,3-trimethylbut-2-en-1-amine?
The IUPAC name of N-ethyl-N,2,3-trimethylbut-2-en-1-amine (CID 135377183) is N-ethyl-N,2,3-trimethylbut-2-en-1-amine.
What is the SMILES notation for N-ethyl-N,2,3-trimethylbut-2-en-1-amine?
The canonical SMILES for N-ethyl-N,2,3-trimethylbut-2-en-1-amine is CCN(C)CC(C)=C(C)C.
What is the InChIKey of N-ethyl-N,2,3-trimethylbut-2-en-1-amine?
The InChIKey is VXZRPKMPGWUSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-10(5)7-9(4)8(2)3/h6-7H2,1-5H3.
What are the key properties of N-ethyl-N,2,3-trimethylbut-2-en-1-amine?
N-ethyl-N,2,3-trimethylbut-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,3-trimethylbut-2-en-1-amine is sourced from PubChem (CID 135377183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).