4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol

C12H26N2O2 — CID 114948578

IUPAC4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol
SMILESCCC(CCN)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-11(4-7-13)14(2)10-12(15)5-8-16-9-6-12/h11,15H,3-10,13H2,1-2H3
InChIKeyGZOROCHTQZPHGC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.59
Rot. Bonds6

About 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol

4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114948578) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol
PubChem CID114948578
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol
SMILESCCC(CCN)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-11(4-7-13)14(2)10-12(15)5-8-16-9-6-12/h11,15H,3-10,13H2,1-2H3
InChIKeyGZOROCHTQZPHGC-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol (CID 114948578) is 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol is CCC(CCN)N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is GZOROCHTQZPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-11(4-7-13)14(2)10-12(15)5-8-16-9-6-12/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol?
4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 230.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-aminopentan-3-yl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114948578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).