N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

C13H27NO — CID 56626084

IUPACN,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESCCN(CC)CC=C(C)COC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-14(8-2)10-9-12(3)11-15-13(4,5)6/h9H,7-8,10-11H2,1-6H3
InChIKeyCETCYYXPKVATKX-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.09
Rot. Bonds6

About N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (PubChem CID 56626084) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
PubChem CID56626084
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESCCN(CC)CC=C(C)COC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-14(8-2)10-9-12(3)11-15-13(4,5)6/h9H,7-8,10-11H2,1-6H3
InChIKeyCETCYYXPKVATKX-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
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,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The IUPAC name of N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (CID 56626084) is N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The canonical SMILES for N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is CCN(CC)CC=C(C)COC(C)(C)C.
What is the InChIKey of N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The InChIKey is CETCYYXPKVATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-14(8-2)10-9-12(3)11-15-13(4,5)6/h9H,7-8,10-11H2,1-6H3.
What are the key properties of N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is sourced from PubChem (CID 56626084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).