5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol

C16H31NO — CID 104692099

IUPAC5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCC1CCCCCN1CC1CCC(C)(C)C1O
InChIInChI=1S/C16H31NO/c1-4-14-8-6-5-7-11-17(14)12-13-9-10-16(2,3)15(13)18/h13-15,18H,4-12H2,1-3H3
InChIKeyITMAZTWRTDPTTF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds3

About 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol

5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 104692099) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID104692099
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCCC1CCCCCN1CC1CCC(C)(C)C1O
InChIInChI=1S/C16H31NO/c1-4-14-8-6-5-7-11-17(14)12-13-9-10-16(2,3)15(13)18/h13-15,18H,4-12H2,1-3H3
InChIKeyITMAZTWRTDPTTF-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848433
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 113441899
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 104691903
6-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842434
5-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855580
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]-4,4-dimethylcyclohexan-1-ol
CID 116638238
4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929462

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol (CID 104692099) is 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol is CCC1CCCCCN1CC1CCC(C)(C)C1O.
What is the InChIKey of 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is ITMAZTWRTDPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-14-8-6-5-7-11-17(14)12-13-9-10-16(2,3)15(13)18/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol?
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 104692099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).