N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine

C11H23NO — CID 106547422

IUPACN-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine
SMILESCCOC(C)(C)CNCC=C(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(4,5)9-12-8-7-10(2)3/h7,12H,6,8-9H2,1-5H3
InChIKeyNPIQTWOUNVISEK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine

N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine (PubChem CID 106547422) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine
PubChem CID106547422
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine
SMILESCCOC(C)(C)CNCC=C(C)C
InChIInChI=1S/C11H23NO/c1-6-13-11(4,5)9-12-8-7-10(2)3/h7,12H,6,8-9H2,1-5H3
InChIKeyNPIQTWOUNVISEK-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
CID 106547377
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
2-[(2-ethoxy-2-methylpropyl)amino]-N,N-diethylacetamide
CID 114942112
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethylacetamide
CID 114942015
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316
1-[(2-ethoxy-2-methylpropyl)amino]-3-methoxypropan-2-ol
CID 114942086
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethyl-N-methylacetamide
CID 114941885
2-[(2-ethoxy-2-methylpropyl)amino]-N-propylacetamide
CID 114941785

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine (CID 106547422) is N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine is CCOC(C)(C)CNCC=C(C)C.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine?
The InChIKey is NPIQTWOUNVISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-13-11(4,5)9-12-8-7-10(2)3/h7,12H,6,8-9H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine?
N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106547422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).