2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine

C11H26N2O2 — CID 66179628

IUPAC2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCC(C)NC(C)(CN)CC(OC)OC
InChIInChI=1S/C11H26N2O2/c1-6-9(2)13-11(3,8-12)7-10(14-4)15-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyCIBKJBFLZLJLOB-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.10
Rot. Bonds8

About 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine

2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine (PubChem CID 66179628) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine
PubChem CID66179628
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCC(C)NC(C)(CN)CC(OC)OC
InChIInChI=1S/C11H26N2O2/c1-6-9(2)13-11(3,8-12)7-10(14-4)15-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyCIBKJBFLZLJLOB-UHFFFAOYSA-N
XLogP1.10
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine (CID 66179628) is 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine is CCC(C)NC(C)(CN)CC(OC)OC.
What is the InChIKey of 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The InChIKey is CIBKJBFLZLJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-6-9(2)13-11(3,8-12)7-10(14-4)15-5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine?
2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4,4-dimethoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66179628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).