3-methylidene-5-(propylamino)pentan-1-ol

C9H19NO — CID 89263797

IUPAC3-methylidene-5-(propylamino)pentan-1-ol
SMILESC=C(CCO)CCNCCC
InChIInChI=1S/C9H19NO/c1-3-6-10-7-4-9(2)5-8-11/h10-11H,2-8H2,1H3
InChIKeyYOWMTPFXRHIYRO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds7

About 3-methylidene-5-(propylamino)pentan-1-ol

3-methylidene-5-(propylamino)pentan-1-ol (PubChem CID 89263797) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methylidene-5-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methylidene-5-(propylamino)pentan-1-ol
PubChem CID89263797
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methylidene-5-(propylamino)pentan-1-ol
SMILESC=C(CCO)CCNCCC
InChIInChI=1S/C9H19NO/c1-3-6-10-7-4-9(2)5-8-11/h10-11H,2-8H2,1H3
InChIKeyYOWMTPFXRHIYRO-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
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 3-methylidene-5-(propylamino)pentan-1-ol?
The IUPAC name of 3-methylidene-5-(propylamino)pentan-1-ol (CID 89263797) is 3-methylidene-5-(propylamino)pentan-1-ol.
What is the SMILES notation for 3-methylidene-5-(propylamino)pentan-1-ol?
The canonical SMILES for 3-methylidene-5-(propylamino)pentan-1-ol is C=C(CCO)CCNCCC.
What is the InChIKey of 3-methylidene-5-(propylamino)pentan-1-ol?
The InChIKey is YOWMTPFXRHIYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-10-7-4-9(2)5-8-11/h10-11H,2-8H2,1H3.
What are the key properties of 3-methylidene-5-(propylamino)pentan-1-ol?
3-methylidene-5-(propylamino)pentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(propylamino)pentan-1-ol is sourced from PubChem (CID 89263797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).