2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol

C11H26N2O2 — CID 166154582

IUPAC2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol
SMILESCCC(CN)(CO)COCC(C)(C)CN
InChIInChI=1S/C11H26N2O2/c1-4-11(6-13,7-14)9-15-8-10(2,3)5-12/h14H,4-9,12-13H2,1-3H3
InChIKeyABUNYVOAPMDZBL-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.34
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol

2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol (PubChem CID 166154582) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol
PubChem CID166154582
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol
SMILESCCC(CN)(CO)COCC(C)(C)CN
InChIInChI=1S/C11H26N2O2/c1-4-11(6-13,7-14)9-15-8-10(2,3)5-12/h14H,4-9,12-13H2,1-3H3
InChIKeyABUNYVOAPMDZBL-UHFFFAOYSA-N
XLogP0.34
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol (CID 166154582) is 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol is CCC(CN)(CO)COCC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol?
The InChIKey is ABUNYVOAPMDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-11(6-13,7-14)9-15-8-10(2,3)5-12/h14H,4-9,12-13H2,1-3H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol?
2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropoxy)methyl]-2-(aminomethyl)butan-1-ol is sourced from PubChem (CID 166154582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).