2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol

C13H29NO — CID 115135569

IUPAC2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)13(6,7)9-14-8-12(4,5)10-15/h14-15H,8-10H2,1-7H3
InChIKeyMYOZYSHRUWXJJA-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.67
Rot. Bonds5

About 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol

2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol (PubChem CID 115135569) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
PubChem CID115135569
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-11(2,3)13(6,7)9-14-8-12(4,5)10-15/h14-15H,8-10H2,1-7H3
InChIKeyMYOZYSHRUWXJJA-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966
N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
(2,2,3,3-tetramethylbutylamino)methanethiol
CID 115228509
3-[[(E)-4-chlorobut-2-enyl]amino]-2,2-dimethylpropan-1-ol
CID 115359755
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
3-[2-(dimethylamino)propylamino]-2,2-dimethylpropan-1-ol
CID 81411342
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
benzene;2,2-dimethylpropane-1,3-diol
CID 162098096
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
CID 106328180

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol (CID 115135569) is 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol is CC(C)(CO)CNCC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol?
The InChIKey is MYOZYSHRUWXJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2,3)13(6,7)9-14-8-12(4,5)10-15/h14-15H,8-10H2,1-7H3.
What are the key properties of 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol?
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol is sourced from PubChem (CID 115135569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).