3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol

C9H19NO — CID 107899264

IUPAC3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol
SMILESC/C=C/CNC(C)C(C)CO
InChIInChI=1S/C9H19NO/c1-4-5-6-10-9(3)8(2)7-11/h4-5,8-11H,6-7H2,1-3H3/b5-4+
InChIKeyHUIDFCSGDJGJQQ-SNAWJCMRSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds5

About 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol

3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol (PubChem CID 107899264) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol
PubChem CID107899264
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol
SMILESC/C=C/CNC(C)C(C)CO
InChIInChI=1S/C9H19NO/c1-4-5-6-10-9(3)8(2)7-11/h4-5,8-11H,6-7H2,1-3H3/b5-4+
InChIKeyHUIDFCSGDJGJQQ-SNAWJCMRSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol (CID 107899264) is 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol is C/C=C/CNC(C)C(C)CO.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol?
The InChIKey is HUIDFCSGDJGJQQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-10-9(3)8(2)7-11/h4-5,8-11H,6-7H2,1-3H3/b5-4+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol?
3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 107899264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).