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

C10H22N2O2 — CID 65378451

IUPAC3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
SMILESCC1CC(CN)(NCCCO)CCO1
InChIInChI=1S/C10H22N2O2/c1-9-7-10(8-11,3-6-14-9)12-4-2-5-13/h9,12-13H,2-8,11H2,1H3
InChIKeyOSUMQVXHGGDGFH-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.15
Rot. Bonds5

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

3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol (PubChem CID 65378451) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
PubChem CID65378451
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
SMILESCC1CC(CN)(NCCCO)CCO1
InChIInChI=1S/C10H22N2O2/c1-9-7-10(8-11,3-6-14-9)12-4-2-5-13/h9,12-13H,2-8,11H2,1H3
InChIKeyOSUMQVXHGGDGFH-UHFFFAOYSA-N
XLogP-0.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.15
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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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol (CID 65378451) is 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol is CC1CC(CN)(NCCCO)CCO1.
What is the InChIKey of 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol?
The InChIKey is OSUMQVXHGGDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9-7-10(8-11,3-6-14-9)12-4-2-5-13/h9,12-13H,2-8,11H2,1H3.
What are the key properties of 3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol?
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.15, 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-methyloxan-4-yl]amino]propan-1-ol is sourced from PubChem (CID 65378451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).