2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol

C12H28N2O — CID 79390220

IUPAC2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol
SMILESCC(CNC(C)C)CN(C)CC(C)(C)O
InChIInChI=1S/C12H28N2O/c1-10(2)13-7-11(3)8-14(6)9-12(4,5)15/h10-11,13,15H,7-9H2,1-6H3
InChIKeyNZWADSRPIWLMCX-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds7

About 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol

2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol (PubChem CID 79390220) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol
PubChem CID79390220
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol
SMILESCC(CNC(C)C)CN(C)CC(C)(C)O
InChIInChI=1S/C12H28N2O/c1-10(2)13-7-11(3)8-14(6)9-12(4,5)15/h10-11,13,15H,7-9H2,1-6H3
InChIKeyNZWADSRPIWLMCX-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol (CID 79390220) is 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol is CC(CNC(C)C)CN(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol?
The InChIKey is NZWADSRPIWLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)13-7-11(3)8-14(6)9-12(4,5)15/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol is sourced from PubChem (CID 79390220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).