(3R)-1-(2-methylpropyl)azepan-3-ol

C10H21NO — CID 171752832

IUPAC(3R)-1-(2-methylpropyl)azepan-3-ol
SMILESCC(C)CN1CCCC[C@@H](O)C1
InChIInChI=1S/C10H21NO/c1-9(2)7-11-6-4-3-5-10(12)8-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyCPYXZTVFJMFOEX-SNVBAGLBSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About (3R)-1-(2-methylpropyl)azepan-3-ol

(3R)-1-(2-methylpropyl)azepan-3-ol (PubChem CID 171752832) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-1-(2-methylpropyl)azepan-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-methylpropyl)azepan-3-ol
PubChem CID171752832
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-1-(2-methylpropyl)azepan-3-ol
SMILESCC(C)CN1CCCC[C@@H](O)C1
InChIInChI=1S/C10H21NO/c1-9(2)7-11-6-4-3-5-10(12)8-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyCPYXZTVFJMFOEX-SNVBAGLBSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
(4R)-1-(2-methylpropyl)azepan-4-ol
CID 171753262
3-(3-hydroxypiperidin-1-yl)-2-methylpropanenitrile
CID 60649366
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(chloromethyl)piperidin-3-ol
CID 53403087
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
CID 64756949
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropyl)azepan-3-ol?
The IUPAC name of (3R)-1-(2-methylpropyl)azepan-3-ol (CID 171752832) is (3R)-1-(2-methylpropyl)azepan-3-ol.
What is the SMILES notation for (3R)-1-(2-methylpropyl)azepan-3-ol?
The canonical SMILES for (3R)-1-(2-methylpropyl)azepan-3-ol is CC(C)CN1CCCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-methylpropyl)azepan-3-ol?
The InChIKey is CPYXZTVFJMFOEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)7-11-6-4-3-5-10(12)8-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropyl)azepan-3-ol?
(3R)-1-(2-methylpropyl)azepan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropyl)azepan-3-ol is sourced from PubChem (CID 171752832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).