3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol

C11H24N2O2 — CID 65378452

IUPAC3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
SMILESCC1(C)CC(CN)(NCCCO)CCO1
InChIInChI=1S/C11H24N2O2/c1-10(2)8-11(9-12,4-7-15-10)13-5-3-6-14/h13-14H,3-9,12H2,1-2H3
InChIKeySOYMTOVXXHZELQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.24
Rot. Bonds5

About 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol

3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol (PubChem CID 65378452) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
PubChem CID65378452
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
SMILESCC1(C)CC(CN)(NCCCO)CCO1
InChIInChI=1S/C11H24N2O2/c1-10(2)8-11(9-12,4-7-15-10)13-5-3-6-14/h13-14H,3-9,12H2,1-2H3
InChIKeySOYMTOVXXHZELQ-UHFFFAOYSA-N
XLogP0.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
2-[2,2-dimethyl-4-(propylamino)oxan-4-yl]ethanol
CID 65234437
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451
4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
CID 106841338
4-[[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]amino]butan-1-ol
CID 106841486
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
4-[[3-(aminomethyl)-5,5-dimethylthian-3-yl]amino]butan-1-ol
CID 106841301
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
3-[[1-(aminomethyl)-2,2-dimethylcyclohexyl]amino]propan-1-ol
CID 79847478
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol (CID 65378452) is 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol is CC1(C)CC(CN)(NCCCO)CCO1.
What is the InChIKey of 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol?
The InChIKey is SOYMTOVXXHZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2)8-11(9-12,4-7-15-10)13-5-3-6-14/h13-14H,3-9,12H2,1-2H3.
What are the key properties of 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol?
3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol is sourced from PubChem (CID 65378452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).