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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Related Compounds

N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62462801
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79850305
N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426258
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
CID 87601650
1-[[2-(bromomethyl)-3,3-dimethylbutyl]-methylamino]-2-methylpropan-2-ol
CID 79389539
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
CID 79652192
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
2-[[2,4-dimethyl-5-(propan-2-ylamino)pentan-2-yl]amino]ethanol
CID 154962642

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).