N-(2-methoxyethyl)-2-methylbut-3-en-2-amine

C8H17NO — CID 163848175

IUPACN-(2-methoxyethyl)-2-methylbut-3-en-2-amine
SMILESC=CC(C)(C)NCCOC
InChIInChI=1S/C8H17NO/c1-5-8(2,3)9-6-7-10-4/h5,9H,1,6-7H2,2-4H3
InChIKeyOSAFGYPUDBONCX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds5

About N-(2-methoxyethyl)-2-methylbut-3-en-2-amine

N-(2-methoxyethyl)-2-methylbut-3-en-2-amine (PubChem CID 163848175) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylbut-3-en-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylbut-3-en-2-amine
PubChem CID163848175
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(2-methoxyethyl)-2-methylbut-3-en-2-amine
SMILESC=CC(C)(C)NCCOC
InChIInChI=1S/C8H17NO/c1-5-8(2,3)9-6-7-10-4/h5,9H,1,6-7H2,2-4H3
InChIKeyOSAFGYPUDBONCX-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
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

2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
CID 173360794
1-methoxy-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 115609446
N-(2-methylbut-3-en-2-yl)octadecan-1-amine;hydrochloride
CID 173339129
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
N-(2-ethenoxyethyl)-2,4,4-trimethylpentan-2-amine
CID 87213619
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
CID 175381941
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
CID 106457338

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylbut-3-en-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methylbut-3-en-2-amine (CID 163848175) is N-(2-methoxyethyl)-2-methylbut-3-en-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylbut-3-en-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylbut-3-en-2-amine is C=CC(C)(C)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methylbut-3-en-2-amine?
The InChIKey is OSAFGYPUDBONCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(2,3)9-6-7-10-4/h5,9H,1,6-7H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methylbut-3-en-2-amine?
N-(2-methoxyethyl)-2-methylbut-3-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylbut-3-en-2-amine is sourced from PubChem (CID 163848175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).