1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol

C16H33NO — CID 82920231

IUPAC1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H33NO/c1-5-14(6-2)13-15(18)16(17(3)4)11-9-7-8-10-12-16/h14-15,18H,5-13H2,1-4H3
InChIKeyDDCGLUFVFKGPFE-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.83
Rot. Bonds6

About 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol

1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol (PubChem CID 82920231) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol
PubChem CID82920231
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H33NO/c1-5-14(6-2)13-15(18)16(17(3)4)11-9-7-8-10-12-16/h14-15,18H,5-13H2,1-4H3
InChIKeyDDCGLUFVFKGPFE-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol (CID 82920231) is 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol is CCC(CC)CC(O)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol?
The InChIKey is DDCGLUFVFKGPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-14(6-2)13-15(18)16(17(3)4)11-9-7-8-10-12-16/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol?
1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]-3-ethylpentan-1-ol is sourced from PubChem (CID 82920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).