1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol

C14H28N2O — CID 62941371

IUPAC1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
SMILESCCNC1CCCCCC1CN1CCC(O)C1
InChIInChI=1S/C14H28N2O/c1-2-15-14-7-5-3-4-6-12(14)10-16-9-8-13(17)11-16/h12-15,17H,2-11H2,1H3
InChIKeyIHVVDJSVEOPBPJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds4

About 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol

1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol (PubChem CID 62941371) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
PubChem CID62941371
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
SMILESCCNC1CCCCCC1CN1CCC(O)C1
InChIInChI=1S/C14H28N2O/c1-2-15-14-7-5-3-4-6-12(14)10-16-9-8-13(17)11-16/h12-15,17H,2-11H2,1H3
InChIKeyIHVVDJSVEOPBPJ-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
1-[1-[[2-(ethylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629110
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
[4-[[2-(ethylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 81213867
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol (CID 62941371) is 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol is CCNC1CCCCCC1CN1CCC(O)C1.
What is the InChIKey of 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol?
The InChIKey is IHVVDJSVEOPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-15-14-7-5-3-4-6-12(14)10-16-9-8-13(17)11-16/h12-15,17H,2-11H2,1H3.
What are the key properties of 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol?
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).