5-[but-3-enyl(methyl)amino]pentan-1-ol

C10H21NO — CID 102848909

IUPAC5-[but-3-enyl(methyl)amino]pentan-1-ol
SMILESC=CCCN(C)CCCCCO
InChIInChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3,12H,1,4-10H2,2H3
InChIKeyTWSQGCRFWYJBPV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds8

About 5-[but-3-enyl(methyl)amino]pentan-1-ol

5-[but-3-enyl(methyl)amino]pentan-1-ol (PubChem CID 102848909) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-[but-3-enyl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[but-3-enyl(methyl)amino]pentan-1-ol
PubChem CID102848909
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-[but-3-enyl(methyl)amino]pentan-1-ol
SMILESC=CCCN(C)CCCCCO
InChIInChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3,12H,1,4-10H2,2H3
InChIKeyTWSQGCRFWYJBPV-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
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-[but-3-enyl(methyl)amino]pentan-1-ol?
The IUPAC name of 5-[but-3-enyl(methyl)amino]pentan-1-ol (CID 102848909) is 5-[but-3-enyl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[but-3-enyl(methyl)amino]pentan-1-ol?
The canonical SMILES for 5-[but-3-enyl(methyl)amino]pentan-1-ol is C=CCCN(C)CCCCCO.
What is the InChIKey of 5-[but-3-enyl(methyl)amino]pentan-1-ol?
The InChIKey is TWSQGCRFWYJBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3,12H,1,4-10H2,2H3.
What are the key properties of 5-[but-3-enyl(methyl)amino]pentan-1-ol?
5-[but-3-enyl(methyl)amino]pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[but-3-enyl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 102848909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).