1,3-dimethylazepan-3-ol;ethane

C10H23NO — CID 168906567

IUPAC1,3-dimethylazepan-3-ol;ethane
SMILESCC.CN1CCCCC(C)(O)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8(10)5-3-4-6-9(2)7-8;1-2/h10H,3-7H2,1-2H3;1-2H3
InChIKeyHRBSZKRBTHKVNI-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.88
Rot. Bonds

About 1,3-dimethylazepan-3-ol;ethane

1,3-dimethylazepan-3-ol;ethane (PubChem CID 168906567) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1,3-dimethylazepan-3-ol;ethane.

Molecular Properties

Compound Name1,3-dimethylazepan-3-ol;ethane
PubChem CID168906567
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1,3-dimethylazepan-3-ol;ethane
SMILESCC.CN1CCCCC(C)(O)C1
InChIInChI=1S/C8H17NO.C2H6/c1-8(10)5-3-4-6-9(2)7-8;1-2/h10H,3-7H2,1-2H3;1-2H3
InChIKeyHRBSZKRBTHKVNI-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.88
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 1,3-dimethylazepan-3-ol;ethane?
The IUPAC name of 1,3-dimethylazepan-3-ol;ethane (CID 168906567) is 1,3-dimethylazepan-3-ol;ethane.
What is the SMILES notation for 1,3-dimethylazepan-3-ol;ethane?
The canonical SMILES for 1,3-dimethylazepan-3-ol;ethane is CC.CN1CCCCC(C)(O)C1.
What is the InChIKey of 1,3-dimethylazepan-3-ol;ethane?
The InChIKey is HRBSZKRBTHKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-8(10)5-3-4-6-9(2)7-8;1-2/h10H,3-7H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethylazepan-3-ol;ethane?
1,3-dimethylazepan-3-ol;ethane has a molecular weight of 173.30 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazepan-3-ol;ethane is sourced from PubChem (CID 168906567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).