[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol

C18H34N2O — CID 102789487

IUPAC[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2(CNC3CC3)CCCCCC2)C1CO
InChIInChI=1S/C18H34N2O/c1-15-8-11-20(17(15)12-21)14-18(13-19-16-6-7-16)9-4-2-3-5-10-18/h15-17,19,21H,2-14H2,1H3
InChIKeyJQUDOASVQZZHEO-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.78
Rot. Bonds6

About [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789487) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789487
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2(CNC3CC3)CCCCCC2)C1CO
InChIInChI=1S/C18H34N2O/c1-15-8-11-20(17(15)12-21)14-18(13-19-16-6-7-16)9-4-2-3-5-10-18/h15-17,19,21H,2-14H2,1H3
InChIKeyJQUDOASVQZZHEO-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 102789613
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789457
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 83220975
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
N-[[1-[(3-propoxypiperidin-1-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62270781
N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 62260616

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789487) is [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC2(CNC3CC3)CCCCCC2)C1CO.
What is the InChIKey of [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JQUDOASVQZZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15-8-11-20(17(15)12-21)14-18(13-19-16-6-7-16)9-4-2-3-5-10-18/h15-17,19,21H,2-14H2,1H3.
What are the key properties of [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 294.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).