3,4-dimethylazepan-4-ol;hydrochloride

C8H18ClNO — CID 118798621

IUPAC3,4-dimethylazepan-4-ol;hydrochloride
SMILESCC1CNCCCC1(C)O.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7-6-9-5-3-4-8(7,2)10;/h7,9-10H,3-6H2,1-2H3;1H
InChIKeyDXVDVKLOBJAETK-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.18
Rot. Bonds

About 3,4-dimethylazepan-4-ol;hydrochloride

3,4-dimethylazepan-4-ol;hydrochloride (PubChem CID 118798621) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3,4-dimethylazepan-4-ol;hydrochloride.

Molecular Properties

Compound Name3,4-dimethylazepan-4-ol;hydrochloride
PubChem CID118798621
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3,4-dimethylazepan-4-ol;hydrochloride
SMILESCC1CNCCCC1(C)O.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7-6-9-5-3-4-8(7,2)10;/h7,9-10H,3-6H2,1-2H3;1H
InChIKeyDXVDVKLOBJAETK-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
6-Methylazepan-4-ol hydrochloride
CID 145913276
4-Methylazepan-4-OL
CID 53393484
3-Methyl-4-(trifluoromethyl)azepan-4-ol hydrochloride
CID 118798623
3-Methyl-4-(trifluoromethyl)azepan-4-ol
CID 118798624
(3S,4S)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814860
(3S,4R)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814862
(3R,4R)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814863
(3R,4S)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814864
1-Methyl-4-propan-2-ylazepan-4-ol
CID 65074919
1-(Ethylamino)-3,5-dimethylhexan-3-ol
CID 65985260
3-Methyl-1-(propylamino)hexan-3-ol
CID 65986491

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylazepan-4-ol;hydrochloride?
The IUPAC name of 3,4-dimethylazepan-4-ol;hydrochloride (CID 118798621) is 3,4-dimethylazepan-4-ol;hydrochloride.
What is the SMILES notation for 3,4-dimethylazepan-4-ol;hydrochloride?
The canonical SMILES for 3,4-dimethylazepan-4-ol;hydrochloride is CC1CNCCCC1(C)O.Cl.
What is the InChIKey of 3,4-dimethylazepan-4-ol;hydrochloride?
The InChIKey is DXVDVKLOBJAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7-6-9-5-3-4-8(7,2)10;/h7,9-10H,3-6H2,1-2H3;1H.
What are the key properties of 3,4-dimethylazepan-4-ol;hydrochloride?
3,4-dimethylazepan-4-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylazepan-4-ol;hydrochloride is sourced from PubChem (CID 118798621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).