[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol

C19H44N4O2 — CID 134851214

About [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol

[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol (PubChem CID 134851214) has the molecular formula C19H44N4O2 and a molecular weight of 360.59 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol.

Molecular Properties

• Compound Name: [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
• PubChem CID: 134851214
• Molecular Formula: C19H44N4O2
• Molecular Weight: 360.59 g/mol
• Exact Mass: 360.35
• IUPAC Name: [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
• SMILES: CC(C)N(C(C)C)C(O)NCC(C)(C)CNC(O)N(C(C)C)C(C)C
• InChI: InChI=1S/C19H44N4O2/c1-13(2)22(14(3)4)17(24)20-11-19(9,10)12-21-18(25)23(15(5)6)16(7)8/h13-18,20-21,24-25H,11-12H2,1-10H3
• InChIKey: GLOZCASFEHOTEY-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 71.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.59
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol?

The IUPAC name of [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol (CID 134851214) is [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol.

What is the SMILES notation for [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol?

The canonical SMILES for [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol is CC(C)N(C(C)C)C(O)NCC(C)(C)CNC(O)N(C(C)C)C(C)C.

What is the InChIKey of [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol?

The InChIKey is GLOZCASFEHOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O2/c1-13(2)22(14(3)4)17(24)20-11-19(9,10)12-21-18(25)23(15(5)6)16(7)8/h13-18,20-21,24-25H,11-12H2,1-10H3.

What are the key properties of [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol?

[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol has a molecular weight of 360.59 g/mol, XLogP of 1.98, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol is sourced from PubChem (CID 134851214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).