(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol

C8H17NO — CID 126737293

IUPAC(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol
SMILESCCN/C(=C/O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-9-7(6-10)8(2,3)4/h6,9-10H,5H2,1-4H3/b7-6+
InChIKeyDTZOWKBWJQVLSO-VOTSOKGWSA-N
MW143.23 g/mol
LogP2.04
Rot. Bonds2

About (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol

(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol (PubChem CID 126737293) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol
PubChem CID126737293
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol
SMILESCCN/C(=C/O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-9-7(6-10)8(2,3)4/h6,9-10H,5H2,1-4H3/b7-6+
InChIKeyDTZOWKBWJQVLSO-VOTSOKGWSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(ethylamino)but-1-en-1-ol
CID 126737351
2-(3,3-Dimethylbut-1-en-2-ylamino)ethanol
CID 130397230
(Z)-4-amino-3,3-dimethyl-2-(methylamino)but-1-en-1-ol
CID 144223610
ethane;(Z)-2-(methylamino)but-1-en-1-ol
CID 144223632
3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol
CID 155330079
(Z)-2-(butylamino)hex-1-en-1-ol
CID 166783252
3,3-dimethyl-N-(2-sulfanyloxyethyl)but-1-en-2-amine
CID 170368920
(Z)-3-methyl-2-(methylamino)but-1-en-1-ol
CID 177229690

Frequently Asked Questions

What is the IUPAC name of (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol?
The IUPAC name of (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol (CID 126737293) is (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol.
What is the SMILES notation for (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol?
The canonical SMILES for (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol is CCN/C(=C/O)C(C)(C)C.
What is the InChIKey of (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol?
The InChIKey is DTZOWKBWJQVLSO-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-9-7(6-10)8(2,3)4/h6,9-10H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol?
(E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylamino)-3,3-dimethylbut-1-en-1-ol is sourced from PubChem (CID 126737293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).