1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol

C13H30N2O — CID 106708171

IUPAC1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CCCCC(C)(C)CN)CC(C)(C)O
InChIInChI=1S/C13H30N2O/c1-12(2,10-14)8-6-7-9-15(5)11-13(3,4)16/h16H,6-11,14H2,1-5H3
InChIKeyADUWSLPDXUYADF-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds8

About 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol

1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol (PubChem CID 106708171) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
PubChem CID106708171
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CCCCC(C)(C)CN)CC(C)(C)O
InChIInChI=1S/C13H30N2O/c1-12(2,10-14)8-6-7-9-15(5)11-13(3,4)16/h16H,6-11,14H2,1-5H3
InChIKeyADUWSLPDXUYADF-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
N'-heptyl-N',2,2-trimethylpropane-1,3-diamine
CID 79648051
N'-decyl-N',2,2-trimethylpropane-1,3-diamine
CID 79652340
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol
CID 79006238

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol (CID 106708171) is 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol is CN(CCCCC(C)(C)CN)CC(C)(C)O.
What is the InChIKey of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is ADUWSLPDXUYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2,10-14)8-6-7-9-15(5)11-13(3,4)16/h16H,6-11,14H2,1-5H3.
What are the key properties of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol?
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106708171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).