2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol

C12H29N3O — CID 87764605

IUPAC2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol
SMILESCC(C)C(C)(N)N(CCO)C(C)(N)C(C)C
InChIInChI=1S/C12H29N3O/c1-9(2)11(5,13)15(7-8-16)12(6,14)10(3)4/h9-10,16H,7-8,13-14H2,1-6H3
InChIKeyOMHZFOUWBDAZOF-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.94
Rot. Bonds6

About 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol

2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol (PubChem CID 87764605) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol
PubChem CID87764605
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol
SMILESCC(C)C(C)(N)N(CCO)C(C)(N)C(C)C
InChIInChI=1S/C12H29N3O/c1-9(2)11(5,13)15(7-8-16)12(6,14)10(3)4/h9-10,16H,7-8,13-14H2,1-6H3
InChIKeyOMHZFOUWBDAZOF-UHFFFAOYSA-N
XLogP0.94
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol?
The IUPAC name of 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol (CID 87764605) is 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol?
The canonical SMILES for 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol is CC(C)C(C)(N)N(CCO)C(C)(N)C(C)C.
What is the InChIKey of 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol?
The InChIKey is OMHZFOUWBDAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-9(2)11(5,13)15(7-8-16)12(6,14)10(3)4/h9-10,16H,7-8,13-14H2,1-6H3.
What are the key properties of 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol?
2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol has a molecular weight of 231.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-amino-3-methylbutan-2-yl)amino]ethanol is sourced from PubChem (CID 87764605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).