[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol

C14H28N2O — CID 102789613

IUPAC[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNCC1(CN2CCC(C)C2CO)CCCC1
InChIInChI=1S/C14H28N2O/c1-12-5-8-16(13(12)9-17)11-14(10-15-2)6-3-4-7-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBPXBQVNOSJDPHZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds5

About [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 102789613) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID102789613
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNCC1(CN2CCC(C)C2CO)CCCC1
InChIInChI=1S/C14H28N2O/c1-12-5-8-16(13(12)9-17)11-14(10-15-2)6-3-4-7-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyBPXBQVNOSJDPHZ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789487
1-[1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 62257745
[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
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 82752685
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011
2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
CID 82685623
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 79183848
N-methyl-1-[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 62256723
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
CID 102728299

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol (CID 102789613) is [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol is CNCC1(CN2CCC(C)C2CO)CCCC1.
What is the InChIKey of [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BPXBQVNOSJDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-5-8-16(13(12)9-17)11-14(10-15-2)6-3-4-7-14/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).