(3S)-1,3-dimethylazepan-3-ol

C8H17NO — CID 176714404

IUPAC(3S)-1,3-dimethylazepan-3-ol
SMILESCN1CCCC[C@](C)(O)C1
InChIInChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHUWHGMIRYFYYCN-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds

About (3S)-1,3-dimethylazepan-3-ol

(3S)-1,3-dimethylazepan-3-ol (PubChem CID 176714404) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-1,3-dimethylazepan-3-ol.

Molecular Properties

Compound Name(3S)-1,3-dimethylazepan-3-ol
PubChem CID176714404
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-1,3-dimethylazepan-3-ol
SMILESCN1CCCC[C@](C)(O)C1
InChIInChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyHUWHGMIRYFYYCN-QMMMGPOBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-dimethylamino-2-hexanol
CID 13357402
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
1,3-Dimethylazepan-3-ol
CID 59015752
2-[1-(2-Methylpropyl)azepan-4-yl]propan-2-ol
CID 59603512
2-(1-Ethylazepan-4-yl)propan-2-ol
CID 68658354
1,4-Dimethylazepan-3-ol
CID 91412746
1,6-Dimethylazepan-3-ol
CID 118230247
4-[(Dimethylamino)methyl]-1-methylazepan-4-ol
CID 121451734
4-[(Dimethylamino)methyl]-1-ethylazepan-4-ol
CID 121451756

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylazepan-3-ol?
The IUPAC name of (3S)-1,3-dimethylazepan-3-ol (CID 176714404) is (3S)-1,3-dimethylazepan-3-ol.
What is the SMILES notation for (3S)-1,3-dimethylazepan-3-ol?
The canonical SMILES for (3S)-1,3-dimethylazepan-3-ol is CN1CCCC[C@](C)(O)C1.
What is the InChIKey of (3S)-1,3-dimethylazepan-3-ol?
The InChIKey is HUWHGMIRYFYYCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(10)5-3-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1,3-dimethylazepan-3-ol?
(3S)-1,3-dimethylazepan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylazepan-3-ol is sourced from PubChem (CID 176714404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).