4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine

C10H24N2O — CID 88931627

IUPAC4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCCC(C)(C)N
InChIInChI=1S/C10H24N2O/c1-9(2,11)5-7-13-8-6-10(3,4)12/h5-8,11-12H2,1-4H3
InChIKeyANVRGAGQWAOMSQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.26
Rot. Bonds6

About 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine

4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine (PubChem CID 88931627) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine
PubChem CID88931627
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCCC(C)(C)N
InChIInChI=1S/C10H24N2O/c1-9(2,11)5-7-13-8-6-10(3,4)12/h5-8,11-12H2,1-4H3
InChIKeyANVRGAGQWAOMSQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine?
The IUPAC name of 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine (CID 88931627) is 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine?
The canonical SMILES for 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine is CC(C)(N)CCOCCC(C)(C)N.
What is the InChIKey of 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine?
The InChIKey is ANVRGAGQWAOMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2,11)5-7-13-8-6-10(3,4)12/h5-8,11-12H2,1-4H3.
What are the key properties of 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine?
4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine has a molecular weight of 188.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-methylbutoxy)-2-methylbutan-2-amine is sourced from PubChem (CID 88931627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).