1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol

C11H26N2O — CID 64818459

IUPAC1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(O)CN)CC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(2,3)9-13(5)7-6-11(4,14)8-12/h14H,6-9,12H2,1-5H3
InChIKeyYVQIHKXDFIDMQW-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.06
Rot. Bonds5

About 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol

1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol (PubChem CID 64818459) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol
PubChem CID64818459
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(O)CN)CC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-10(2,3)9-13(5)7-6-11(4,14)8-12/h14H,6-9,12H2,1-5H3
InChIKeyYVQIHKXDFIDMQW-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol (CID 64818459) is 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol is CN(CCC(C)(O)CN)CC(C)(C)C.
What is the InChIKey of 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol?
The InChIKey is YVQIHKXDFIDMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2,3)9-13(5)7-6-11(4,14)8-12/h14H,6-9,12H2,1-5H3.
What are the key properties of 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol?
1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2,2-dimethylpropyl(methyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 64818459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).