5-[methyl(prop-2-enyl)amino]pentan-1-ol

C9H19NO — CID 57044120

IUPAC5-[methyl(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(C)CCCCCO
InChIInChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3
InChIKeyUVRRFWGUUWTQFC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds7

About 5-[methyl(prop-2-enyl)amino]pentan-1-ol

5-[methyl(prop-2-enyl)amino]pentan-1-ol (PubChem CID 57044120) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-[methyl(prop-2-enyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(prop-2-enyl)amino]pentan-1-ol
PubChem CID57044120
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-[methyl(prop-2-enyl)amino]pentan-1-ol
SMILESC=CCN(C)CCCCCO
InChIInChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3
InChIKeyUVRRFWGUUWTQFC-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
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-[methyl(prop-2-enyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(prop-2-enyl)amino]pentan-1-ol (CID 57044120) is 5-[methyl(prop-2-enyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(prop-2-enyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(prop-2-enyl)amino]pentan-1-ol is C=CCN(C)CCCCCO.
What is the InChIKey of 5-[methyl(prop-2-enyl)amino]pentan-1-ol?
The InChIKey is UVRRFWGUUWTQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3.
What are the key properties of 5-[methyl(prop-2-enyl)amino]pentan-1-ol?
5-[methyl(prop-2-enyl)amino]pentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(prop-2-enyl)amino]pentan-1-ol is sourced from PubChem (CID 57044120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).