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

C11H24N2O — CID 121451756

IUPAC4-[(dimethylamino)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(CN(C)C)CC1
InChIInChI=1S/C11H24N2O/c1-4-13-8-5-6-11(14,7-9-13)10-12(2)3/h14H,4-10H2,1-3H3
InChIKeyRDCNMILQXMNUSN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds3

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

4-[(dimethylamino)methyl]-1-ethylazepan-4-ol (PubChem CID 121451756) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-ethylazepan-4-ol
PubChem CID121451756
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(dimethylamino)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(CN(C)C)CC1
InChIInChI=1S/C11H24N2O/c1-4-13-8-5-6-11(14,7-9-13)10-12(2)3/h14H,4-10H2,1-3H3
InChIKeyRDCNMILQXMNUSN-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol (CID 121451756) is 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol is CCN1CCCC(O)(CN(C)C)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol?
The InChIKey is RDCNMILQXMNUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13-8-5-6-11(14,7-9-13)10-12(2)3/h14H,4-10H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol?
4-[(dimethylamino)methyl]-1-ethylazepan-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-ethylazepan-4-ol is sourced from PubChem (CID 121451756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).