5-[[(Z)-but-2-enyl]amino]pentan-1-ol

C9H19NO — CID 89250783

IUPAC5-[[(Z)-but-2-enyl]amino]pentan-1-ol
SMILESC/C=C\CNCCCCCO
InChIInChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h2-3,10-11H,4-9H2,1H3/b3-2-
InChIKeyPSMILBPYZYKCEM-IHWYPQMZSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds7

About 5-[[(Z)-but-2-enyl]amino]pentan-1-ol

5-[[(Z)-but-2-enyl]amino]pentan-1-ol (PubChem CID 89250783) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-[[(Z)-but-2-enyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[(Z)-but-2-enyl]amino]pentan-1-ol
PubChem CID89250783
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-[[(Z)-but-2-enyl]amino]pentan-1-ol
SMILESC/C=C\CNCCCCCO
InChIInChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h2-3,10-11H,4-9H2,1H3/b3-2-
InChIKeyPSMILBPYZYKCEM-IHWYPQMZSA-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 5-[[(Z)-but-2-enyl]amino]pentan-1-ol?
The IUPAC name of 5-[[(Z)-but-2-enyl]amino]pentan-1-ol (CID 89250783) is 5-[[(Z)-but-2-enyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[(Z)-but-2-enyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[(Z)-but-2-enyl]amino]pentan-1-ol is C/C=C\CNCCCCCO.
What is the InChIKey of 5-[[(Z)-but-2-enyl]amino]pentan-1-ol?
The InChIKey is PSMILBPYZYKCEM-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-7-10-8-5-4-6-9-11/h2-3,10-11H,4-9H2,1H3/b3-2-.
What are the key properties of 5-[[(Z)-but-2-enyl]amino]pentan-1-ol?
5-[[(Z)-but-2-enyl]amino]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 5-[[(Z)-but-2-enyl]amino]pentan-1-ol is sourced from PubChem (CID 89250783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).