1,3,5,5,7,7-hexamethylazepan-3-ol

C12H25NO — CID 123400284

IUPAC1,3,5,5,7,7-hexamethylazepan-3-ol
SMILESCN1CC(C)(O)CC(C)(C)CC1(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-11(3,4)13(6)9-12(5,14)8-10/h14H,7-9H2,1-6H3
InChIKeyVVPFZINKMPVTMP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds

About 1,3,5,5,7,7-hexamethylazepan-3-ol

1,3,5,5,7,7-hexamethylazepan-3-ol (PubChem CID 123400284) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,3,5,5,7,7-hexamethylazepan-3-ol.

Molecular Properties

Compound Name1,3,5,5,7,7-hexamethylazepan-3-ol
PubChem CID123400284
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1,3,5,5,7,7-hexamethylazepan-3-ol
SMILESCN1CC(C)(O)CC(C)(C)CC1(C)C
InChIInChI=1S/C12H25NO/c1-10(2)7-11(3,4)13(6)9-12(5,14)8-10/h14H,7-9H2,1-6H3
InChIKeyVVPFZINKMPVTMP-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Azepan-1-yl)-2-methylheptan-2-ol
CID 216094
1,7,7-Trimethylazepan-3-ol
CID 118230264
5-Tert-butyl-1,3-dimethyl-6-propan-2-ylazepan-3-ol
CID 142267266
1,2-Ditert-butyl-3-methylazepan-3-ol
CID 171756062
(3S)-1-tert-butyl-3-methylazepan-3-ol
CID 176612697
1-Tert-butyl-3-methylazepan-3-ol
CID 176847719
3,7-Dimethyl-1-propan-2-ylazepan-3-ol
CID 178173478

Frequently Asked Questions

What is the IUPAC name of 1,3,5,5,7,7-hexamethylazepan-3-ol?
The IUPAC name of 1,3,5,5,7,7-hexamethylazepan-3-ol (CID 123400284) is 1,3,5,5,7,7-hexamethylazepan-3-ol.
What is the SMILES notation for 1,3,5,5,7,7-hexamethylazepan-3-ol?
The canonical SMILES for 1,3,5,5,7,7-hexamethylazepan-3-ol is CN1CC(C)(O)CC(C)(C)CC1(C)C.
What is the InChIKey of 1,3,5,5,7,7-hexamethylazepan-3-ol?
The InChIKey is VVPFZINKMPVTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)7-11(3,4)13(6)9-12(5,14)8-10/h14H,7-9H2,1-6H3.
What are the key properties of 1,3,5,5,7,7-hexamethylazepan-3-ol?
1,3,5,5,7,7-hexamethylazepan-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5,7,7-hexamethylazepan-3-ol is sourced from PubChem (CID 123400284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).