4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol

C14H31NO2 — CID 101011779

IUPAC4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCC(C)(C)O)C(C)(C)C
InChIInChI=1S/C14H31NO2/c1-12(2,3)15(10-8-13(4,5)16)11-9-14(6,7)17/h16-17H,8-11H2,1-7H3
InChIKeyRXMHQHYJSFDBLP-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.41
Rot. Bonds6

About 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol

4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol (PubChem CID 101011779) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
PubChem CID101011779
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCC(C)(C)O)C(C)(C)C
InChIInChI=1S/C14H31NO2/c1-12(2,3)15(10-8-13(4,5)16)11-9-14(6,7)17/h16-17H,8-11H2,1-7H3
InChIKeyRXMHQHYJSFDBLP-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
N-tert-butyl-N-(4,4-dimethylpentyl)-4,4-dimethylpentan-1-amine
CID 154627419
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
azane;2-methyl-N,N-dipropylpropan-2-amine
CID 87497520
1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
CID 11217562
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143
2-[(3-hydroxy-3-methylbutyl)-methylamino]ethanethioamide
CID 79355473
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
CID 154350594

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol (CID 101011779) is 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol is CC(C)(O)CCN(CCC(C)(C)O)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol?
The InChIKey is RXMHQHYJSFDBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-12(2,3)15(10-8-13(4,5)16)11-9-14(6,7)17/h16-17H,8-11H2,1-7H3.
What are the key properties of 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol?
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 101011779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).