4-methyl-1-(2-methylbutyl)azepan-4-ol

C12H25NO — CID 107407764

IUPAC4-methyl-1-(2-methylbutyl)azepan-4-ol
SMILESCCC(C)CN1CCCC(C)(O)CC1
InChIInChI=1S/C12H25NO/c1-4-11(2)10-13-8-5-6-12(3,14)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyWNOAUVMESOVESO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About 4-methyl-1-(2-methylbutyl)azepan-4-ol

4-methyl-1-(2-methylbutyl)azepan-4-ol (PubChem CID 107407764) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-1-(2-methylbutyl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylbutyl)azepan-4-ol
PubChem CID107407764
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-1-(2-methylbutyl)azepan-4-ol
SMILESCCC(C)CN1CCCC(C)(O)CC1
InChIInChI=1S/C12H25NO/c1-4-11(2)10-13-8-5-6-12(3,14)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyWNOAUVMESOVESO-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

4-methyl-1-(2-methyl-3-sulfanylpropyl)azepan-4-ol
CID 107408973
4-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]azepan-4-ol
CID 107407664
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121
1-(2,2-diethoxyethyl)-4-methylazepan-4-ol
CID 107405290
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
N-[1-(azepan-1-yl)propan-2-yl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144357
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
CID 107407626
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
CID 107161764

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylbutyl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(2-methylbutyl)azepan-4-ol (CID 107407764) is 4-methyl-1-(2-methylbutyl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(2-methylbutyl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(2-methylbutyl)azepan-4-ol is CCC(C)CN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylbutyl)azepan-4-ol?
The InChIKey is WNOAUVMESOVESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(2)10-13-8-5-6-12(3,14)7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylbutyl)azepan-4-ol?
4-methyl-1-(2-methylbutyl)azepan-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylbutyl)azepan-4-ol is sourced from PubChem (CID 107407764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).