4-methylazepan-4-ol

C7H15NO — CID 53393484

IUPAC4-methylazepan-4-ol
SMILESCC1(O)CCCNCC1
InChIInChI=1S/C7H15NO/c1-7(9)3-2-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKeyNUSFCKJOSCESDP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds

About 4-methylazepan-4-ol

4-methylazepan-4-ol (PubChem CID 53393484) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methylazepan-4-ol.

Molecular Properties

Compound Name4-methylazepan-4-ol
PubChem CID53393484
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methylazepan-4-ol
SMILESCC1(O)CCCNCC1
InChIInChI=1S/C7H15NO/c1-7(9)3-2-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKeyNUSFCKJOSCESDP-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
4-(Trifluoromethyl)azepan-4-ol hydrochloride
CID 118798394
rac-(1R,6R)-3-azabicyclo[4.1.0]heptan-6-ol
CID 95566586
4-(Trifluoromethyl)azepan-4-ol
CID 55296064
6-Methylazepan-4-ol
CID 86686497
5,5-Difluoro-4-methylazepan-4-ol
CID 176271122
4-(Difluoromethyl)azepan-4-ol
CID 103983030
4-(Fluoromethyl)azepan-4-ol
CID 118798570
3-Methyl-4-(trifluoromethyl)azepan-4-ol
CID 118798624
5-Fluoro-4-(trifluoromethyl)azepan-4-ol hydrochloride
CID 118798630
5-Fluoro-4-(trifluoromethyl)azepan-4-ol
CID 118798631
(4R)-4-(trifluoromethyl)azepan-4-ol
CID 124467010

Frequently Asked Questions

What is the IUPAC name of 4-methylazepan-4-ol?
The IUPAC name of 4-methylazepan-4-ol (CID 53393484) is 4-methylazepan-4-ol.
What is the SMILES notation for 4-methylazepan-4-ol?
The canonical SMILES for 4-methylazepan-4-ol is CC1(O)CCCNCC1.
What is the InChIKey of 4-methylazepan-4-ol?
The InChIKey is NUSFCKJOSCESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9)3-2-5-8-6-4-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-methylazepan-4-ol?
4-methylazepan-4-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepan-4-ol is sourced from PubChem (CID 53393484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).