[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol

C14H28N2O2 — CID 115249172

IUPAC[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(C(C)(C)CNCC2(CO)COC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,12-4-5-16(3)6-12)7-15-8-14(9-17)10-18-11-14/h12,15,17H,4-11H2,1-3H3
InChIKeyZSNOGWFALYRMDD-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.56
Rot. Bonds6

About [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol

[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 115249172) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID115249172
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(C(C)(C)CNCC2(CO)COC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,12-4-5-16(3)6-12)7-15-8-14(9-17)10-18-11-14/h12,15,17H,4-11H2,1-3H3
InChIKeyZSNOGWFALYRMDD-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Tert-butylpyrrolidin-1-yl)methyl]-2-methylpropane-1,3-diol
CID 104489543
[3-[(3-Pentan-3-ylpyrrolidin-1-yl)methyl]oxetan-3-yl]methanol
CID 112229599
2,2-Dimethyl-3-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
CID 115135603
3-[[2-Methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
CID 115217337
[1-[[[2-Methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclopropyl]methanol
CID 115243818
[1-[[[2-Methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutyl]methanol
CID 115247197
[3-[[(1-Methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol
CID 115249007
[3-[[2-(1-Methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249111
[3-[[Methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 115249143
[3-[(2,2-Dimethylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249147
[3-[(2,2,4-Trimethylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249148
[3-[[(2-Cyclopentyl-2-methylpropyl)amino]methyl]oxetan-3-yl]methanol
CID 115249168

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol (CID 115249172) is [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol is CN1CCC(C(C)(C)CNCC2(CO)COC2)C1.
What is the InChIKey of [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is ZSNOGWFALYRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,12-4-5-16(3)6-12)7-15-8-14(9-17)10-18-11-14/h12,15,17H,4-11H2,1-3H3.
What are the key properties of [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).