5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol

C10H21NO — CID 107203868

IUPAC5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol
SMILESC/C=C/CN(C)CCCCCO
InChIInChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyMGRZMGQNUCSFFN-ONEGZZNKSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds7

About 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol

5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol (PubChem CID 107203868) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol
PubChem CID107203868
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol
SMILESC/C=C/CN(C)CCCCCO
InChIInChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyMGRZMGQNUCSFFN-ONEGZZNKSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol (CID 107203868) is 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol is C/C=C/CN(C)CCCCCO.
What is the InChIKey of 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol?
The InChIKey is MGRZMGQNUCSFFN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-8-11(2)9-6-5-7-10-12/h3-4,12H,5-10H2,1-2H3/b4-3+.
What are the key properties of 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol?
5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107203868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).