5-(3-methylbut-2-enylamino)pentan-1-ol

C10H21NO — CID 107302858

IUPAC5-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNCCCCCO
InChIInChI=1S/C10H21NO/c1-10(2)6-8-11-7-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyUYVQTTYGSYBUAK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds7

About 5-(3-methylbut-2-enylamino)pentan-1-ol

5-(3-methylbut-2-enylamino)pentan-1-ol (PubChem CID 107302858) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(3-methylbut-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3-methylbut-2-enylamino)pentan-1-ol
PubChem CID107302858
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNCCCCCO
InChIInChI=1S/C10H21NO/c1-10(2)6-8-11-7-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyUYVQTTYGSYBUAK-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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-(3-methylbut-2-enylamino)pentan-1-ol?
The IUPAC name of 5-(3-methylbut-2-enylamino)pentan-1-ol (CID 107302858) is 5-(3-methylbut-2-enylamino)pentan-1-ol.
What is the SMILES notation for 5-(3-methylbut-2-enylamino)pentan-1-ol?
The canonical SMILES for 5-(3-methylbut-2-enylamino)pentan-1-ol is CC(C)=CCNCCCCCO.
What is the InChIKey of 5-(3-methylbut-2-enylamino)pentan-1-ol?
The InChIKey is UYVQTTYGSYBUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)6-8-11-7-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3.
What are the key properties of 5-(3-methylbut-2-enylamino)pentan-1-ol?
5-(3-methylbut-2-enylamino)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enylamino)pentan-1-ol is sourced from PubChem (CID 107302858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).