3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine

C12H28N2O2 — CID 66180827

IUPAC3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)C(C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-9(2)10(3)14(5)12(4,8-13)11(15-6)16-7/h9-11H,8,13H2,1-7H3
InChIKeyZFISDNCHYCKARN-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.30
Rot. Bonds7

About 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine

3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 66180827) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
PubChem CID66180827
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)N(C)C(C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-9(2)10(3)14(5)12(4,8-13)11(15-6)16-7/h9-11H,8,13H2,1-7H3
InChIKeyZFISDNCHYCKARN-UHFFFAOYSA-N
XLogP1.30
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
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 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine (CID 66180827) is 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine is COC(OC)C(C)(CN)N(C)C(C)C(C)C.
What is the InChIKey of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is ZFISDNCHYCKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-9(2)10(3)14(5)12(4,8-13)11(15-6)16-7/h9-11H,8,13H2,1-7H3.
What are the key properties of 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 66180827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).