(4R)-1-(2-methylpropyl)azepan-4-ol

C10H21NO — CID 171753262

IUPAC(4R)-1-(2-methylpropyl)azepan-4-ol
SMILESCC(C)CN1CCC[C@@H](O)CC1
InChIInChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(12)5-7-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyVKJLCHHAQFQVKQ-SNVBAGLBSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About (4R)-1-(2-methylpropyl)azepan-4-ol

(4R)-1-(2-methylpropyl)azepan-4-ol (PubChem CID 171753262) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4R)-1-(2-methylpropyl)azepan-4-ol.

Molecular Properties

Compound Name(4R)-1-(2-methylpropyl)azepan-4-ol
PubChem CID171753262
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4R)-1-(2-methylpropyl)azepan-4-ol
SMILESCC(C)CN1CCC[C@@H](O)CC1
InChIInChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(12)5-7-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyVKJLCHHAQFQVKQ-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

(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-[(2R)-2-aminopropyl]piperidin-4-ol
CID 130939157
2-[1-(2-methylpropyl)azepan-4-yl]propan-2-ol
CID 59603512
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-[2-(dimethylamino)propyl]piperidin-4-ol
CID 130735120
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methylpropyl)azepan-4-ol?
The IUPAC name of (4R)-1-(2-methylpropyl)azepan-4-ol (CID 171753262) is (4R)-1-(2-methylpropyl)azepan-4-ol.
What is the SMILES notation for (4R)-1-(2-methylpropyl)azepan-4-ol?
The canonical SMILES for (4R)-1-(2-methylpropyl)azepan-4-ol is CC(C)CN1CCC[C@@H](O)CC1.
What is the InChIKey of (4R)-1-(2-methylpropyl)azepan-4-ol?
The InChIKey is VKJLCHHAQFQVKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(12)5-7-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-1-(2-methylpropyl)azepan-4-ol?
(4R)-1-(2-methylpropyl)azepan-4-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 (4R)-1-(2-methylpropyl)azepan-4-ol is sourced from PubChem (CID 171753262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).