(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol

C7H15NO — CID 135368277

IUPAC(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol
SMILESCCNC/C=C(/C)CO
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(2)6-9/h4,8-9H,3,5-6H2,1-2H3/b7-4-
InChIKeySNCOHGIKVZCZNO-DAXSKMNVSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

About (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol

(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol (PubChem CID 135368277) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol
PubChem CID135368277
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol
SMILESCCNC/C=C(/C)CO
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(2)6-9/h4,8-9H,3,5-6H2,1-2H3/b7-4-
InChIKeySNCOHGIKVZCZNO-DAXSKMNVSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol?
The IUPAC name of (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol (CID 135368277) is (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol?
The canonical SMILES for (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol is CCNC/C=C(/C)CO.
What is the InChIKey of (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol?
The InChIKey is SNCOHGIKVZCZNO-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-8-5-4-7(2)6-9/h4,8-9H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol?
(Z)-4-(ethylamino)-2-methylbut-2-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylamino)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 135368277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).