4-[(dimethylamino)methyl]-1-methylazepan-4-ol

C10H22N2O — CID 121451734

IUPAC4-[(dimethylamino)methyl]-1-methylazepan-4-ol
SMILESCN(C)CC1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-11(2)9-10(13)5-4-7-12(3)8-6-10/h13H,4-9H2,1-3H3
InChIKeyBOLJJTQVRVBJNM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.39
Rot. Bonds2

About 4-[(dimethylamino)methyl]-1-methylazepan-4-ol

4-[(dimethylamino)methyl]-1-methylazepan-4-ol (PubChem CID 121451734) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-methylazepan-4-ol
PubChem CID121451734
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[(dimethylamino)methyl]-1-methylazepan-4-ol
SMILESCN(C)CC1(O)CCCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-11(2)9-10(13)5-4-7-12(3)8-6-10/h13H,4-9H2,1-3H3
InChIKeyBOLJJTQVRVBJNM-UHFFFAOYSA-N
XLogP0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-methylazepan-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-methylazepan-4-ol (CID 121451734) is 4-[(dimethylamino)methyl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-methylazepan-4-ol is CN(C)CC1(O)CCCN(C)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-methylazepan-4-ol?
The InChIKey is BOLJJTQVRVBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11(2)9-10(13)5-4-7-12(3)8-6-10/h13H,4-9H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-methylazepan-4-ol?
4-[(dimethylamino)methyl]-1-methylazepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-methylazepan-4-ol is sourced from PubChem (CID 121451734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).