3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol

C16H32N2O — CID 103358631

IUPAC3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol
SMILESCC(C)CNCC1(CN2CCC(C)(O)C2)CCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-17-11-16(6-4-5-7-16)13-18-9-8-15(3,19)12-18/h14,17,19H,4-13H2,1-3H3
InChIKeyXLYADYPDFUFENK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds6

About 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol

3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol (PubChem CID 103358631) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol
PubChem CID103358631
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol
SMILESCC(C)CNCC1(CN2CCC(C)(O)C2)CCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)10-17-11-16(6-4-5-7-16)13-18-9-8-15(3,19)12-18/h14,17,19H,4-13H2,1-3H3
InChIKeyXLYADYPDFUFENK-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(Methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-ol
CID 62942474
1-[[1-(Ethylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-ol
CID 62942647
1-[[1-(Propylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-ol
CID 62943600
1-[[1-[(2-Methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol
CID 62943983
1-[[(2-Methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210797
1-[[(1-Propan-2-ylpyrrolidin-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210950
1-[[(1-Ethylpyrrolidin-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65211412
1-[[(1-Methylpyrrolidin-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65211414
1-[[3-(Methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 65213195
1-(2-Cyclopentylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66334551
1-[[1-[(Tert-butylamino)methyl]cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79377216
1-[[1-(Ethylaminomethyl)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79377473

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol (CID 103358631) is 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol is CC(C)CNCC1(CN2CCC(C)(O)C2)CCCC1.
What is the InChIKey of 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol?
The InChIKey is XLYADYPDFUFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)10-17-11-16(6-4-5-7-16)13-18-9-8-15(3,19)12-18/h14,17,19H,4-13H2,1-3H3.
What are the key properties of 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol?
3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103358631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).