1-ethyl-3-methylazepan-3-ol

C9H19NO — CID 167467036

IUPAC1-ethyl-3-methylazepan-3-ol
SMILESCCN1CCCCC(C)(O)C1
InChIInChI=1S/C9H19NO/c1-3-10-7-5-4-6-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyJDDIMEFFZJFQNN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds1

About 1-ethyl-3-methylazepan-3-ol

1-ethyl-3-methylazepan-3-ol (PubChem CID 167467036) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethyl-3-methylazepan-3-ol.

Molecular Properties

Compound Name1-ethyl-3-methylazepan-3-ol
PubChem CID167467036
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethyl-3-methylazepan-3-ol
SMILESCCN1CCCCC(C)(O)C1
InChIInChI=1S/C9H19NO/c1-3-10-7-5-4-6-9(2,11)8-10/h11H,3-8H2,1-2H3
InChIKeyJDDIMEFFZJFQNN-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
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 1-ethyl-3-methylazepan-3-ol?
The IUPAC name of 1-ethyl-3-methylazepan-3-ol (CID 167467036) is 1-ethyl-3-methylazepan-3-ol.
What is the SMILES notation for 1-ethyl-3-methylazepan-3-ol?
The canonical SMILES for 1-ethyl-3-methylazepan-3-ol is CCN1CCCCC(C)(O)C1.
What is the InChIKey of 1-ethyl-3-methylazepan-3-ol?
The InChIKey is JDDIMEFFZJFQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-10-7-5-4-6-9(2,11)8-10/h11H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-3-methylazepan-3-ol?
1-ethyl-3-methylazepan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylazepan-3-ol is sourced from PubChem (CID 167467036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).