(3S)-1-tert-butyl-3-methylazepan-3-ol

C11H23NO — CID 176612697

IUPAC(3S)-1-tert-butyl-3-methylazepan-3-ol
SMILESCC(C)(C)N1CCCC[C@](C)(O)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyBDOHMXJVVFINHU-NSHDSACASA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds

About (3S)-1-tert-butyl-3-methylazepan-3-ol

(3S)-1-tert-butyl-3-methylazepan-3-ol (PubChem CID 176612697) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylazepan-3-ol.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-methylazepan-3-ol
PubChem CID176612697
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-1-tert-butyl-3-methylazepan-3-ol
SMILESCC(C)(C)N1CCCC[C@](C)(O)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyBDOHMXJVVFINHU-NSHDSACASA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

3-(Fluoromethyl)-1-propan-2-ylazepan-3-ol
CID 168104622
6,6-Difluoro-3-methyl-1-propan-2-ylazepan-3-ol
CID 178173046
6,6-Difluoro-1,3-dimethylazepan-3-ol
CID 178173246
3-(Fluoromethyl)-1-methylazepan-3-ol
CID 144890556
2-(1-Tert-butylpyrrolidin-2-yl)propan-2-ol
CID 57643207
1-Tert-butylazepan-3-ol
CID 58877724
1,3-Dimethylazepan-3-ol
CID 59015752
1-Tert-butyl-4-[(dimethylamino)methyl]azepan-4-ol
CID 121450465
1,3,5,5,7,7-Hexamethylazepan-3-ol
CID 123400284
3-Hydroperoxy-1,3-dimethylazepane
CID 141807173
6-(Diethylamino)-2-methylhexan-2-ol
CID 146593564
6-[Ethyl(methyl)amino]-2-methylhexan-2-ol
CID 146593567

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylazepan-3-ol?
The IUPAC name of (3S)-1-tert-butyl-3-methylazepan-3-ol (CID 176612697) is (3S)-1-tert-butyl-3-methylazepan-3-ol.
What is the SMILES notation for (3S)-1-tert-butyl-3-methylazepan-3-ol?
The canonical SMILES for (3S)-1-tert-butyl-3-methylazepan-3-ol is CC(C)(C)N1CCCC[C@](C)(O)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-methylazepan-3-ol?
The InChIKey is BDOHMXJVVFINHU-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)12-8-6-5-7-11(4,13)9-12/h13H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-methylazepan-3-ol?
(3S)-1-tert-butyl-3-methylazepan-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-methylazepan-3-ol is sourced from PubChem (CID 176612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).