4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol

C13H29NO — CID 79326254

IUPAC4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCC(C)(C)O)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3
InChIKeyVUJHTPIZHNBGAM-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.76
Rot. Bonds7

About 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol

4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol (PubChem CID 79326254) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
PubChem CID79326254
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCC(C)(C)O)CC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3
InChIKeyVUJHTPIZHNBGAM-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 64820540
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
2,5-dimethylhexan-2-ol;ethene
CID 144803935
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 65260345
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64828090
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol (CID 79326254) is 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol is CC(C)CN(CCC(C)(C)O)CC(C)C.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
The InChIKey is VUJHTPIZHNBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)9-14(10-12(3)4)8-7-13(5,6)15/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol?
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol has a molecular weight of 215.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 79326254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).