3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol

C12H28N2O — CID 81411042

IUPAC3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)C(CN(C)C)NCC(C)(C)CO
InChIInChI=1S/C12H28N2O/c1-10(2)11(7-14(5)6)13-8-12(3,4)9-15/h10-11,13,15H,7-9H2,1-6H3
InChIKeyKVYHKDJIUJRVOF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.18
Rot. Bonds7

About 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol

3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 81411042) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID81411042
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)C(CN(C)C)NCC(C)(C)CO
InChIInChI=1S/C12H28N2O/c1-10(2)11(7-14(5)6)13-8-12(3,4)9-15/h10-11,13,15H,7-9H2,1-6H3
InChIKeyKVYHKDJIUJRVOF-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol (CID 81411042) is 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol is CC(C)C(CN(C)C)NCC(C)(C)CO.
What is the InChIKey of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is KVYHKDJIUJRVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)11(7-14(5)6)13-8-12(3,4)9-15/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).