(1-tert-butylazepan-2-yl)methanol

C11H23NO — CID 84660252

IUPAC(1-tert-butylazepan-2-yl)methanol
SMILESCC(C)(C)N1CCCCCC1CO
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-6-4-5-7-10(12)9-13/h10,13H,4-9H2,1-3H3
InChIKeyHZBHJNPLCWXQBM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds1

About (1-tert-butylazepan-2-yl)methanol

(1-tert-butylazepan-2-yl)methanol (PubChem CID 84660252) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1-tert-butylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-tert-butylazepan-2-yl)methanol
PubChem CID84660252
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1-tert-butylazepan-2-yl)methanol
SMILESCC(C)(C)N1CCCCCC1CO
InChIInChI=1S/C11H23NO/c1-11(2,3)12-8-6-4-5-7-10(12)9-13/h10,13H,4-9H2,1-3H3
InChIKeyHZBHJNPLCWXQBM-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
1-tert-butyl-2-propylpiperidine
CID 59028554
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(1-ethylazepan-2-yl)methanol
CID 2849413
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
1-tert-butylazepane-2-carbaldehyde
CID 84659254
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 58858763
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylazepan-2-yl)methanol?
The IUPAC name of (1-tert-butylazepan-2-yl)methanol (CID 84660252) is (1-tert-butylazepan-2-yl)methanol.
What is the SMILES notation for (1-tert-butylazepan-2-yl)methanol?
The canonical SMILES for (1-tert-butylazepan-2-yl)methanol is CC(C)(C)N1CCCCCC1CO.
What is the InChIKey of (1-tert-butylazepan-2-yl)methanol?
The InChIKey is HZBHJNPLCWXQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)12-8-6-4-5-7-10(12)9-13/h10,13H,4-9H2,1-3H3.
What are the key properties of (1-tert-butylazepan-2-yl)methanol?
(1-tert-butylazepan-2-yl)methanol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylazepan-2-yl)methanol is sourced from PubChem (CID 84660252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).