2,2,3-trimethyl-1-propoxybutane-1,1-diamine

C10H24N2O — CID 19813602

IUPAC2,2,3-trimethyl-1-propoxybutane-1,1-diamine
SMILESCCCOC(N)(N)C(C)(C)C(C)C
InChIInChI=1S/C10H24N2O/c1-6-7-13-10(11,12)9(4,5)8(2)3/h8H,6-7,11-12H2,1-5H3
InChIKeyUQDQHZWWNHKZQQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.67
Rot. Bonds5

About 2,2,3-trimethyl-1-propoxybutane-1,1-diamine

2,2,3-trimethyl-1-propoxybutane-1,1-diamine (PubChem CID 19813602) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-propoxybutane-1,1-diamine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-propoxybutane-1,1-diamine
PubChem CID19813602
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2,2,3-trimethyl-1-propoxybutane-1,1-diamine
SMILESCCCOC(N)(N)C(C)(C)C(C)C
InChIInChI=1S/C10H24N2O/c1-6-7-13-10(11,12)9(4,5)8(2)3/h8H,6-7,11-12H2,1-5H3
InChIKeyUQDQHZWWNHKZQQ-UHFFFAOYSA-N
XLogP1.67
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2,3-trimethyl-1-propoxybutane-1,1-diamine?
The IUPAC name of 2,2,3-trimethyl-1-propoxybutane-1,1-diamine (CID 19813602) is 2,2,3-trimethyl-1-propoxybutane-1,1-diamine.
What is the SMILES notation for 2,2,3-trimethyl-1-propoxybutane-1,1-diamine?
The canonical SMILES for 2,2,3-trimethyl-1-propoxybutane-1,1-diamine is CCCOC(N)(N)C(C)(C)C(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-propoxybutane-1,1-diamine?
The InChIKey is UQDQHZWWNHKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-6-7-13-10(11,12)9(4,5)8(2)3/h8H,6-7,11-12H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-1-propoxybutane-1,1-diamine?
2,2,3-trimethyl-1-propoxybutane-1,1-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-propoxybutane-1,1-diamine is sourced from PubChem (CID 19813602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).