N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

C12H25NO — CID 102640757

IUPACN-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)C)CNCC
InChIInChI=1S/C12H25NO/c1-6-12(5,10-13-7-2)8-9-14-11(3)4/h6,11,13H,1,7-10H2,2-5H3
InChIKeyRHHKTLUTUXLCBI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds8

About N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (PubChem CID 102640757) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
PubChem CID102640757
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)C)CNCC
InChIInChI=1S/C12H25NO/c1-6-12(5,10-13-7-2)8-9-14-11(3)4/h6,11,13H,1,7-10H2,2-5H3
InChIKeyRHHKTLUTUXLCBI-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (CID 102640757) is N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is C=CC(C)(CCOC(C)C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The InChIKey is RHHKTLUTUXLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-12(5,10-13-7-2)8-9-14-11(3)4/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is sourced from PubChem (CID 102640757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).