1,4-dimethylazepan-3-ol

C8H17NO — CID 91412746

IUPAC1,4-dimethylazepan-3-ol
SMILESCC1CCCN(C)CC1O
InChIInChI=1S/C8H17NO/c1-7-4-3-5-9(2)6-8(7)10/h7-8,10H,3-6H2,1-2H3
InChIKeyFBOQLBAUEFRHAC-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds

About 1,4-dimethylazepan-3-ol

1,4-dimethylazepan-3-ol (PubChem CID 91412746) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,4-dimethylazepan-3-ol.

Molecular Properties

Compound Name1,4-dimethylazepan-3-ol
PubChem CID91412746
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1,4-dimethylazepan-3-ol
SMILESCC1CCCN(C)CC1O
InChIInChI=1S/C8H17NO/c1-7-4-3-5-9(2)6-8(7)10/h7-8,10H,3-6H2,1-2H3
InChIKeyFBOQLBAUEFRHAC-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-hydroxyhexahydroazepine
CID 22636113
1-Ethyl-4-fluoroazepan-3-ol
CID 139302573
1-Ethyl-6-fluoroazepan-3-ol
CID 156456024
(2R)-5-(diethylamino)-2-ethylpentan-1-ol
CID 10987021
(5-Fluoro-1-methylazepan-4-yl)methanol
CID 105530286
[(4R,5R)-5-fluoro-1-methylazepan-4-yl]methanol
CID 105531307
[(4S,5R)-5-fluoro-1-methylazepan-4-yl]methanol
CID 105531535
1-Fluoro-3-(4-methylazepan-1-yl)propan-2-ol
CID 130947603
2-(4-Methylazepan-1-yl)ethanol
CID 412799
(1-Methylazepan-4-yl)methanol
CID 22636157
1-(Diethylamino)-4-ethylhexan-2-ol
CID 53914243
1-Tert-butylazepan-3-ol
CID 58877724

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylazepan-3-ol?
The IUPAC name of 1,4-dimethylazepan-3-ol (CID 91412746) is 1,4-dimethylazepan-3-ol.
What is the SMILES notation for 1,4-dimethylazepan-3-ol?
The canonical SMILES for 1,4-dimethylazepan-3-ol is CC1CCCN(C)CC1O.
What is the InChIKey of 1,4-dimethylazepan-3-ol?
The InChIKey is FBOQLBAUEFRHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-4-3-5-9(2)6-8(7)10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethylazepan-3-ol?
1,4-dimethylazepan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylazepan-3-ol is sourced from PubChem (CID 91412746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).