[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol

C16H32N2O2 — CID 102789456

IUPAC[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCCCNCC1(CN2CCC(C)C2CO)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(18)10-19/h14-15,17,19H,3-13H2,1-2H3
InChIKeyTWOWQAXVFBDLGC-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.49
Rot. Bonds7

About [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 102789456) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID102789456
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCCCNCC1(CN2CCC(C)C2CO)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(18)10-19/h14-15,17,19H,3-13H2,1-2H3
InChIKeyTWOWQAXVFBDLGC-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
3-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]oxane-3-carbaldehyde
CID 102789425
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
[3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 102789613
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-4-ol
CID 81116507
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789487
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739810
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine
CID 114113293

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol (CID 102789456) is [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol is CCCNCC1(CN2CCC(C)C2CO)CCCOC1.
What is the InChIKey of [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is TWOWQAXVFBDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-7-17-11-16(6-4-9-20-13-16)12-18-8-5-14(2)15(18)10-19/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 284.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).