2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol

C13H27NO — CID 59603512

IUPAC2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol
SMILESCC(C)CN1CCCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO/c1-11(2)10-14-8-5-6-12(7-9-14)13(3,4)15/h11-12,15H,5-10H2,1-4H3
InChIKeyBGPLDHJXVILUJK-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol

2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol (PubChem CID 59603512) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol
PubChem CID59603512
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol
SMILESCC(C)CN1CCCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO/c1-11(2)10-14-8-5-6-12(7-9-14)13(3,4)15/h11-12,15H,5-10H2,1-4H3
InChIKeyBGPLDHJXVILUJK-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(2-methylpropyl)azepan-4-ol
CID 171753262
1,1,1,3,3,3-hexafluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 147996546
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
CID 156869049
4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
CID 64899056
2-cyclononadecylpropan-2-ol
CID 126587376
2-cyclooctylpropan-2-ol
CID 27966
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
3-cyclohexyl-2-methyl-1-piperidin-1-ylpentan-3-ol
CID 10125346
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol (CID 59603512) is 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol is CC(C)CN1CCCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol?
The InChIKey is BGPLDHJXVILUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-14-8-5-6-12(7-9-14)13(3,4)15/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol?
2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol is sourced from PubChem (CID 59603512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).