5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol

C11H23NO — CID 106146958

IUPAC5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
SMILESC/C=C/CNCC(C)(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4-5,12-13H,6-10H2,1-3H3/b5-4+
InChIKeyYNMQCMNAZWPVRK-SNAWJCMRSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol

5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106146958) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106146958
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
SMILESC/C=C/CNCC(C)(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4-5,12-13H,6-10H2,1-3H3/b5-4+
InChIKeyYNMQCMNAZWPVRK-SNAWJCMRSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
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 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol (CID 106146958) is 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol is C/C=C/CNCC(C)(C)CCCO.
What is the InChIKey of 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is YNMQCMNAZWPVRK-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4-5,12-13H,6-10H2,1-3H3/b5-4+.
What are the key properties of 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol?
5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).