(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine

C11H23NO2 — CID 54528175

IUPAC(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine
SMILESCCN(C=C[C@@H](C)COCOC)CC
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7-8,11H,5-6,9-10H2,1-4H3/t11-/m1/s1
InChIKeyYUPHMOICYIPSAG-LLVKDONJSA-N
MW201.31 g/mol
LogP2.10
Rot. Bonds8

About (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine

(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine (PubChem CID 54528175) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine
PubChem CID54528175
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine
SMILESCCN(C=C[C@@H](C)COCOC)CC
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7-8,11H,5-6,9-10H2,1-4H3/t11-/m1/s1
InChIKeyYUPHMOICYIPSAG-LLVKDONJSA-N
XLogP2.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine?
The IUPAC name of (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine (CID 54528175) is (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine.
What is the SMILES notation for (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine?
The canonical SMILES for (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine is CCN(C=C[C@@H](C)COCOC)CC.
What is the InChIKey of (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine?
The InChIKey is YUPHMOICYIPSAG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7-8,11H,5-6,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine?
(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine is sourced from PubChem (CID 54528175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).