1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol

C13H27NO — CID 114338641

IUPAC1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol
SMILESCC(C)CN1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-11(2)10-14-8-6-4-5-7-13(14)9-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRIWQUWYXEYXNMZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol

1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol (PubChem CID 114338641) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol
PubChem CID114338641
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol
SMILESCC(C)CN1CCCCCC1CC(C)O
InChIInChI=1S/C13H27NO/c1-11(2)10-14-8-6-4-5-7-13(14)9-12(3)15/h11-13,15H,4-10H2,1-3H3
InChIKeyRIWQUWYXEYXNMZ-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-(Dimethylamino)undecan-4-ol
CID 109342
1-[1-(4,4,4-Trifluorobutyl)azepan-2-yl]propan-2-ol
CID 113569203
1-[1-(3,3,3-Trifluoropropyl)azepan-2-yl]propan-2-ol
CID 114338650
1-[1-(2,2,2-Trifluoroethyl)azepan-2-yl]propan-2-ol
CID 114338689
1-[1-(2,2-Difluoroethyl)azepan-2-yl]propan-2-ol
CID 114338711
1-[1-(3-Fluoropropyl)azepan-2-yl]propan-2-ol
CID 114338731
1-[1-(2-Fluoroethyl)azepan-2-yl]propan-2-ol
CID 114338933
Cycloheptanol, 3-(dimethylamino)-
CID 421059
10-Methyl-10-azabicyclo[4.3.1]decan-8-ol
CID 12310461
9-Methyl-9-azabicyclo[4.2.1]nonan-3-ol
CID 18727363
2-(1-Methylazepan-2-yl)ethanol
CID 84080213
4,9-Bis(dimethylamino)nonan-2-ol
CID 88160505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol (CID 114338641) is 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol is CC(C)CN1CCCCCC1CC(C)O.
What is the InChIKey of 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol?
The InChIKey is RIWQUWYXEYXNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-14-8-6-4-5-7-13(14)9-12(3)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol?
1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)azepan-2-yl]propan-2-ol is sourced from PubChem (CID 114338641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).