1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

C14H28N2O — CID 55131553

IUPAC1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-15-11-14(7-4-3-5-8-14)12-16-9-6-13(17)10-16/h13,15,17H,2-12H2,1H3
InChIKeyYOWZVNFSJQQVIW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds5

About 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 55131553) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID55131553
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-2-15-11-14(7-4-3-5-8-14)12-16-9-6-13(17)10-16/h13,15,17H,2-12H2,1H3
InChIKeyYOWZVNFSJQQVIW-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 55131553) is 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is CCNCC1(CN2CCC(O)C2)CCCCC1.
What is the InChIKey of 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is YOWZVNFSJQQVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-15-11-14(7-4-3-5-8-14)12-16-9-6-13(17)10-16/h13,15,17H,2-12H2,1H3.
What are the key properties of 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 55131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).