5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol

C12H26N2O2 — CID 107204536

IUPAC5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CC1(CN)CCOC1
InChIInChI=1S/C12H26N2O2/c1-14(6-3-2-4-7-15)10-12(9-13)5-8-16-11-12/h15H,2-11,13H2,1H3
InChIKeyFENFKRLSUUACJU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.45
Rot. Bonds8

About 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol

5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol (PubChem CID 107204536) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol
PubChem CID107204536
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)CC1(CN)CCOC1
InChIInChI=1S/C12H26N2O2/c1-14(6-3-2-4-7-15)10-12(9-13)5-8-16-11-12/h15H,2-11,13H2,1H3
InChIKeyFENFKRLSUUACJU-UHFFFAOYSA-N
XLogP0.45
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.45
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

4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
5-[methyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]pentan-1-ol
CID 107204713
[4-[[methyl(pentyl)amino]methyl]oxan-4-yl]methanol
CID 62391542
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664669
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
CID 103839075
5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
CID 107204564
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol (CID 107204536) is 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol is CN(CCCCCO)CC1(CN)CCOC1.
What is the InChIKey of 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol?
The InChIKey is FENFKRLSUUACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14(6-3-2-4-7-15)10-12(9-13)5-8-16-11-12/h15H,2-11,13H2,1H3.
What are the key properties of 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol?
5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107204536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).