4-(cyclopentylmethyl)-1-methylazepan-4-ol

C13H25NO — CID 65154144

IUPAC4-(cyclopentylmethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CC2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-14-9-4-7-13(15,8-10-14)11-12-5-2-3-6-12/h12,15H,2-11H2,1H3
InChIKeyZDSAAPRZUACDHM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds2

About 4-(cyclopentylmethyl)-1-methylazepan-4-ol

4-(cyclopentylmethyl)-1-methylazepan-4-ol (PubChem CID 65154144) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1-methylazepan-4-ol
PubChem CID65154144
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(cyclopentylmethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CC2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-14-9-4-7-13(15,8-10-14)11-12-5-2-3-6-12/h12,15H,2-11H2,1H3
InChIKeyZDSAAPRZUACDHM-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1-methylazepan-4-ol?
The IUPAC name of 4-(cyclopentylmethyl)-1-methylazepan-4-ol (CID 65154144) is 4-(cyclopentylmethyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(cyclopentylmethyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(cyclopentylmethyl)-1-methylazepan-4-ol is CN1CCCC(O)(CC2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylmethyl)-1-methylazepan-4-ol?
The InChIKey is ZDSAAPRZUACDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-9-4-7-13(15,8-10-14)11-12-5-2-3-6-12/h12,15H,2-11H2,1H3.
What are the key properties of 4-(cyclopentylmethyl)-1-methylazepan-4-ol?
4-(cyclopentylmethyl)-1-methylazepan-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1-methylazepan-4-ol is sourced from PubChem (CID 65154144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).