4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine

C12H26N2O2 — CID 66268815

IUPAC4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
SMILESCOC(CC(CN)N(C)CC1CC1C)OC
InChIInChI=1S/C12H26N2O2/c1-9-5-10(9)8-14(2)11(7-13)6-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3
InChIKeyNZFLGYFOXDODFY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.91
Rot. Bonds8

About 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine

4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine (PubChem CID 66268815) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
PubChem CID66268815
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
SMILESCOC(CC(CN)N(C)CC1CC1C)OC
InChIInChI=1S/C12H26N2O2/c1-9-5-10(9)8-14(2)11(7-13)6-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3
InChIKeyNZFLGYFOXDODFY-UHFFFAOYSA-N
XLogP0.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.91
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 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine (CID 66268815) is 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine is COC(CC(CN)N(C)CC1CC1C)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The InChIKey is NZFLGYFOXDODFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9-5-10(9)8-14(2)11(7-13)6-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 66268815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).