1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol

C12H28N2O — CID 115906563

IUPAC1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
SMILESCCCC(CC)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-11(7-2)13-9-12(3,15)10-14(4)5/h11,13,15H,6-10H2,1-5H3
InChIKeyVCMOURRUYGSNBN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.47
Rot. Bonds8

About 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol

1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol (PubChem CID 115906563) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
PubChem CID115906563
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
SMILESCCCC(CC)NCC(C)(O)CN(C)C
InChIInChI=1S/C12H28N2O/c1-6-8-11(7-2)13-9-12(3,15)10-14(4)5/h11,13,15H,6-10H2,1-5H3
InChIKeyVCMOURRUYGSNBN-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Aminopiperidin-1-yl)-2-methylpropan-2-ol
CID 50986512
1-(Cyclohexylamino)-2-methylpropan-2-ol
CID 276969
2-Methyl-1-(pentan-3-ylamino)propan-2-ol
CID 277593
2-Methyl-1-[methyl(2,2,2-trifluoroethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 66334545
2-Methyl-1-[methyl(3,3,3-trifluoropropyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 66334861
1-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66336373
2-Methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 66336525
2-Methyl-1-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 66336671
1-[(4-Amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79381742
1-[(4-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79381866
1-(Dimethylamino)-2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 104925215
1-(1,1-Difluoropropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145248

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol (CID 115906563) is 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol is CCCC(CC)NCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol?
The InChIKey is VCMOURRUYGSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-8-11(7-2)13-9-12(3,15)10-14(4)5/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol?
1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115906563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).