5-(hex-5-enylamino)hexan-1-ol

C12H25NO — CID 175145813

IUPAC5-(hex-5-enylamino)hexan-1-ol
SMILESC=CCCCCNC(C)CCCCO
InChIInChI=1S/C12H25NO/c1-3-4-5-7-10-13-12(2)9-6-8-11-14/h3,12-14H,1,4-11H2,2H3
InChIKeyFBRREWYKLAEICF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds10

About 5-(hex-5-enylamino)hexan-1-ol

5-(hex-5-enylamino)hexan-1-ol (PubChem CID 175145813) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(hex-5-enylamino)hexan-1-ol.

Molecular Properties

Compound Name5-(hex-5-enylamino)hexan-1-ol
PubChem CID175145813
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(hex-5-enylamino)hexan-1-ol
SMILESC=CCCCCNC(C)CCCCO
InChIInChI=1S/C12H25NO/c1-3-4-5-7-10-13-12(2)9-6-8-11-14/h3,12-14H,1,4-11H2,2H3
InChIKeyFBRREWYKLAEICF-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
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-(hex-5-enylamino)hexan-1-ol?
The IUPAC name of 5-(hex-5-enylamino)hexan-1-ol (CID 175145813) is 5-(hex-5-enylamino)hexan-1-ol.
What is the SMILES notation for 5-(hex-5-enylamino)hexan-1-ol?
The canonical SMILES for 5-(hex-5-enylamino)hexan-1-ol is C=CCCCCNC(C)CCCCO.
What is the InChIKey of 5-(hex-5-enylamino)hexan-1-ol?
The InChIKey is FBRREWYKLAEICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-7-10-13-12(2)9-6-8-11-14/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 5-(hex-5-enylamino)hexan-1-ol?
5-(hex-5-enylamino)hexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-enylamino)hexan-1-ol is sourced from PubChem (CID 175145813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).