2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol

C13H27NO2 — CID 106397580

IUPAC2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol
SMILESC=CCCOCCNCC(CC)(CC)CO
InChIInChI=1S/C13H27NO2/c1-4-7-9-16-10-8-14-11-13(5-2,6-3)12-15/h4,14-15H,1,5-12H2,2-3H3
InChIKeyDHXVTCOGKWEQJF-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.97
Rot. Bonds11

About 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol

2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 106397580) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol
PubChem CID106397580
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol
SMILESC=CCCOCCNCC(CC)(CC)CO
InChIInChI=1S/C13H27NO2/c1-4-7-9-16-10-8-14-11-13(5-2,6-3)12-15/h4,14-15H,1,5-12H2,2-3H3
InChIKeyDHXVTCOGKWEQJF-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2-Methoxyethylamino)-3-methylhex-5-en-3-ol
CID 79734894
3-(2-But-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952226
2-but-3-enoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586595
2-Ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol
CID 106256302
2-[(2-But-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
3-(2-But-3-enoxyethylamino)-2,2-dimethylpropan-1-ol
CID 106397206
4-(2-But-3-enoxyethylamino)butan-2-ol
CID 106401439
4-(2-But-3-enoxyethylamino)-2-methylbutan-2-ol
CID 106401567
3-(2-But-3-enoxyethylamino)-2-methylpropan-1-ol
CID 106401609
3-[(2-But-3-enoxyethylamino)methyl]pentan-3-ol
CID 106401805
1-(2-But-3-enoxyethylamino)-2-methylbutan-2-ol
CID 106401967
2-[(2-But-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol
CID 106402046

Frequently Asked Questions

What is the IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol (CID 106397580) is 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol is C=CCCOCCNCC(CC)(CC)CO.
What is the InChIKey of 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is DHXVTCOGKWEQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-9-16-10-8-14-11-13(5-2,6-3)12-15/h4,14-15H,1,5-12H2,2-3H3.
What are the key properties of 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol?
2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.97, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-but-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106397580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).