6-butyl-7-propylazepan-2-ol

C13H27NO — CID 71040403

IUPAC6-butyl-7-propylazepan-2-ol
SMILESCCCCC1CCCC(O)NC1CCC
InChIInChI=1S/C13H27NO/c1-3-5-8-11-9-6-10-13(15)14-12(11)7-4-2/h11-15H,3-10H2,1-2H3
InChIKeyOYGYPJKPTRQGIS-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.05
Rot. Bonds5

About 6-butyl-7-propylazepan-2-ol

6-butyl-7-propylazepan-2-ol (PubChem CID 71040403) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-butyl-7-propylazepan-2-ol.

Molecular Properties

Compound Name6-butyl-7-propylazepan-2-ol
PubChem CID71040403
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-butyl-7-propylazepan-2-ol
SMILESCCCCC1CCCC(O)NC1CCC
InChIInChI=1S/C13H27NO/c1-3-5-8-11-9-6-10-13(15)14-12(11)7-4-2/h11-15H,3-10H2,1-2H3
InChIKeyOYGYPJKPTRQGIS-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1-butyl-2-ethylcyclopentane
CID 522474
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-butyl-2-methylcyclopentane;ethane
CID 143661628
(2-butylcyclopentyl)carbamic acid
CID 142463044
1-butyl-2,3-dimethylcycloheptane
CID 123688488

Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-propylazepan-2-ol?
The IUPAC name of 6-butyl-7-propylazepan-2-ol (CID 71040403) is 6-butyl-7-propylazepan-2-ol.
What is the SMILES notation for 6-butyl-7-propylazepan-2-ol?
The canonical SMILES for 6-butyl-7-propylazepan-2-ol is CCCCC1CCCC(O)NC1CCC.
What is the InChIKey of 6-butyl-7-propylazepan-2-ol?
The InChIKey is OYGYPJKPTRQGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-8-11-9-6-10-13(15)14-12(11)7-4-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 6-butyl-7-propylazepan-2-ol?
6-butyl-7-propylazepan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-propylazepan-2-ol is sourced from PubChem (CID 71040403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).