5-(oct-7-enylamino)pentan-1-ol

C13H27NO — CID 171564219

IUPAC5-(oct-7-enylamino)pentan-1-ol
SMILESC=CCCCCCCNCCCCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-15/h2,14-15H,1,3-13H2
InChIKeyYFRKXDDGGUARNG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.88
Rot. Bonds12

About 5-(oct-7-enylamino)pentan-1-ol

5-(oct-7-enylamino)pentan-1-ol (PubChem CID 171564219) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-(oct-7-enylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(oct-7-enylamino)pentan-1-ol
PubChem CID171564219
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-(oct-7-enylamino)pentan-1-ol
SMILESC=CCCCCCCNCCCCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-15/h2,14-15H,1,3-13H2
InChIKeyYFRKXDDGGUARNG-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.88
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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Related Compounds

3-(Oct-7-enylamino)propan-1-ol
CID 15457837
5-(Prop-2-enylamino)pentan-1-ol
CID 62228256
7-(Prop-2-enylamino)heptan-1-ol
CID 87378145
6-(But-3-enylamino)hexan-1-ol
CID 88198044
1-Amino-5-(prop-2-enylamino)pentan-1-ol
CID 88814015
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
5-[[(Z)-but-2-enyl]amino]pentan-1-ol
CID 89250783
3-(Hept-6-enylamino)propan-1-ol
CID 107006573
4-(Hept-6-enylamino)butan-1-ol
CID 107007211
5-(Pent-4-enylamino)pentan-1-ol
CID 107317245
5-(Hept-6-enylamino)pentan-1-ol
CID 107317277
6-(Pent-4-enylamino)hexan-1-ol
CID 107851763

Frequently Asked Questions

What is the IUPAC name of 5-(oct-7-enylamino)pentan-1-ol?
The IUPAC name of 5-(oct-7-enylamino)pentan-1-ol (CID 171564219) is 5-(oct-7-enylamino)pentan-1-ol.
What is the SMILES notation for 5-(oct-7-enylamino)pentan-1-ol?
The canonical SMILES for 5-(oct-7-enylamino)pentan-1-ol is C=CCCCCCCNCCCCCO.
What is the InChIKey of 5-(oct-7-enylamino)pentan-1-ol?
The InChIKey is YFRKXDDGGUARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-15/h2,14-15H,1,3-13H2.
What are the key properties of 5-(oct-7-enylamino)pentan-1-ol?
5-(oct-7-enylamino)pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oct-7-enylamino)pentan-1-ol is sourced from PubChem (CID 171564219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).