1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol

C8H20N2O — CID 174707457

IUPAC1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
SMILESCC(O)CNC(C)(C)CCN
InChIInChI=1S/C8H20N2O/c1-7(11)6-10-8(2,3)4-5-9/h7,10-11H,4-6,9H2,1-3H3
InChIKeyFFWLSOVELKTPFO-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.08
Rot. Bonds5

About 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol

1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol (PubChem CID 174707457) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
PubChem CID174707457
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
SMILESCC(O)CNC(C)(C)CCN
InChIInChI=1S/C8H20N2O/c1-7(11)6-10-8(2,3)4-5-9/h7,10-11H,4-6,9H2,1-3H3
InChIKeyFFWLSOVELKTPFO-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol (CID 174707457) is 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol is CC(O)CNC(C)(C)CCN.
What is the InChIKey of 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol?
The InChIKey is FFWLSOVELKTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(11)6-10-8(2,3)4-5-9/h7,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol?
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 174707457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).