2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol

C12H28N2O — CID 81419151

IUPAC2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCN(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(4,10-15)9-13-7-8-14(5)11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyYIDZYDRQIOFFNK-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds8

About 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol

2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol (PubChem CID 81419151) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
PubChem CID81419151
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCCN(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-12(4,10-15)9-13-7-8-14(5)11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyYIDZYDRQIOFFNK-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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

2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-2-methylbutan-1-ol
CID 81419046
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
2-methyl-2-[(3-propan-2-yloxypropylamino)methyl]butan-1-ol
CID 81412865
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol
CID 81412557
(2R)-2-[[[(3R,4R)-4-amino-3-methylpentyl]amino]methyl]-2-methylbutan-1-ol
CID 87167758
3-[2-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]-1,1-dimethylurea
CID 83116818
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanenitrile
CID 81413090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol (CID 81419151) is 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol is CCC(C)(CO)CNCCN(C)C(C)C.
What is the InChIKey of 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol?
The InChIKey is YIDZYDRQIOFFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(4,10-15)9-13-7-8-14(5)11(2)3/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol?
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).