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

C12H28N2O — CID 106708066

IUPAC1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCCCC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-11(15)9-14(4)8-6-5-7-12(2,3)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyYTEOPUXGJKVCBP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.45
Rot. Bonds8

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

1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol (PubChem CID 106708066) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
PubChem CID106708066
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCCCC(C)(C)CN
InChIInChI=1S/C12H28N2O/c1-11(15)9-14(4)8-6-5-7-12(2,3)10-13/h11,15H,5-10,13H2,1-4H3
InChIKeyYTEOPUXGJKVCBP-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 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 ≤ 51.45
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]-2-methylpropan-2-ol
CID 106708171
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
ethane;2,2,7-trimethyloctan-1-amine
CID 142541342
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine
CID 65296383
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol (CID 106708066) is 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol is CC(O)CN(C)CCCCC(C)(C)CN.
What is the InChIKey of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol?
The InChIKey is YTEOPUXGJKVCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(15)9-14(4)8-6-5-7-12(2,3)10-13/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol?
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.45, 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]propan-2-ol is sourced from PubChem (CID 106708066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).