3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol

C15H32N2O2 — CID 62270792

IUPAC3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
SMILESCCCNCC1(CN(CCCO)C(C)C)CCOC1
InChIInChI=1S/C15H32N2O2/c1-4-7-16-11-15(6-10-19-13-15)12-17(14(2)3)8-5-9-18/h14,16,18H,4-13H2,1-3H3
InChIKeySSDVOYLKGWIFCC-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.49
Rot. Bonds10

About 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol

3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol (PubChem CID 62270792) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
PubChem CID62270792
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
SMILESCCCNCC1(CN(CCCO)C(C)C)CCOC1
InChIInChI=1S/C15H32N2O2/c1-4-7-16-11-15(6-10-19-13-15)12-17(14(2)3)8-5-9-18/h14,16,18H,4-13H2,1-3H3
InChIKeySSDVOYLKGWIFCC-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
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

3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62257952
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256
[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
CID 82953185
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719201

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol (CID 62270792) is 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol is CCCNCC1(CN(CCCO)C(C)C)CCOC1.
What is the InChIKey of 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol?
The InChIKey is SSDVOYLKGWIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-7-16-11-15(6-10-19-13-15)12-17(14(2)3)8-5-9-18/h14,16,18H,4-13H2,1-3H3.
What are the key properties of 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol?
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 62270792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).