1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol

C17H34N2O — CID 115967293

IUPAC1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCNCC1(CN2CCC(C(C)O)C2)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-3-18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)15(2)20/h15-16,18,20H,3-14H2,1-2H3
InChIKeyJVPWPIGGLRFAPJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds6

About 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115967293) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115967293
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCNCC1(CN2CCC(C(C)O)C2)CCCCCC1
InChIInChI=1S/C17H34N2O/c1-3-18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)15(2)20/h15-16,18,20H,3-14H2,1-2H3
InChIKeyJVPWPIGGLRFAPJ-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629475
1-[1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837777
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]piperidin-4-yl]ethanol
CID 106837791
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol (CID 115967293) is 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol is CCNCC1(CN2CCC(C(C)O)C2)CCCCCC1.
What is the InChIKey of 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JVPWPIGGLRFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-18-13-17(9-6-4-5-7-10-17)14-19-11-8-16(12-19)15(2)20/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).