3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol

C10H24N2O — CID 62008968

IUPAC3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(C)(CC)CN
InChIInChI=1S/C10H24N2O/c1-4-10(3,9-11)12(5-2)7-6-8-13/h13H,4-9,11H2,1-3H3
InChIKeyRJZHFAGKLPJLQE-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds7

About 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol

3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol (PubChem CID 62008968) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol
PubChem CID62008968
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol
SMILESCCN(CCCO)C(C)(CC)CN
InChIInChI=1S/C10H24N2O/c1-4-10(3,9-11)12(5-2)7-6-8-13/h13H,4-9,11H2,1-3H3
InChIKeyRJZHFAGKLPJLQE-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol?
The IUPAC name of 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol (CID 62008968) is 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol is CCN(CCCO)C(C)(CC)CN.
What is the InChIKey of 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol?
The InChIKey is RJZHFAGKLPJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-10(3,9-11)12(5-2)7-6-8-13/h13H,4-9,11H2,1-3H3.
What are the key properties of 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol?
3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylbutan-2-yl)-ethylamino]propan-1-ol is sourced from PubChem (CID 62008968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).