1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine

C10H24N2O — CID 89078030

IUPAC1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
SMILESCCC(C)(N)CCOC(C)CCN
InChIInChI=1S/C10H24N2O/c1-4-10(3,12)6-8-13-9(2)5-7-11/h9H,4-8,11-12H2,1-3H3
InChIKeyDBIFAULNJQVXBF-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.26
Rot. Bonds7

About 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine

1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine (PubChem CID 89078030) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine.

Molecular Properties

Compound Name1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
PubChem CID89078030
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
SMILESCCC(C)(N)CCOC(C)CCN
InChIInChI=1S/C10H24N2O/c1-4-10(3,12)6-8-13-9(2)5-7-11/h9H,4-8,11-12H2,1-3H3
InChIKeyDBIFAULNJQVXBF-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine?
The IUPAC name of 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine (CID 89078030) is 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine.
What is the SMILES notation for 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine?
The canonical SMILES for 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine is CCC(C)(N)CCOC(C)CCN.
What is the InChIKey of 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine?
The InChIKey is DBIFAULNJQVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-10(3,12)6-8-13-9(2)5-7-11/h9H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine?
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine has a molecular weight of 188.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine is sourced from PubChem (CID 89078030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).