4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine

C10H20N2O2 — CID 66179431

IUPAC4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine
SMILESC#CCNC(C)(CN)CC(OC)OC
InChIInChI=1S/C10H20N2O2/c1-5-6-12-10(2,8-11)7-9(13-3)14-4/h1,9,12H,6-8,11H2,2-4H3
InChIKeyWLTAUGJIUAELTO-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.06
Rot. Bonds7

About 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine

4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine (PubChem CID 66179431) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine
PubChem CID66179431
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine
SMILESC#CCNC(C)(CN)CC(OC)OC
InChIInChI=1S/C10H20N2O2/c1-5-6-12-10(2,8-11)7-9(13-3)14-4/h1,9,12H,6-8,11H2,2-4H3
InChIKeyWLTAUGJIUAELTO-UHFFFAOYSA-N
XLogP-0.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine (CID 66179431) is 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine is C#CCNC(C)(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine?
The InChIKey is WLTAUGJIUAELTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-6-12-10(2,8-11)7-9(13-3)14-4/h1,9,12H,6-8,11H2,2-4H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine?
4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine has a molecular weight of 200.28 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-N-prop-2-ynylbutane-1,2-diamine is sourced from PubChem (CID 66179431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).