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

C12H28N2O — CID 64798699

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

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

2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64798699) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64798699
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CN(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)7-14(6)8-12(5,9-15)13-11(3)4/h10-11,13,15H,7-9H2,1-6H3
InChIKeyJZNZVFQRESYGIS-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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Related Compounds

2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 79490308
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225
4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825186
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
CID 64826613
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64798308
2-methyl-2-[[methyl(2-methylpropyl)amino]methyl]pentan-1-ol
CID 62271469
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827314
3-(2-fluoro-N-methylanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64792340
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64795544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64798699) is 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC(C)CN(C)CC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is JZNZVFQRESYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)7-14(6)8-12(5,9-15)13-11(3)4/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-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-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64798699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).