4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine

C10H22N2O2 — CID 114616213

IUPAC4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine
SMILESC=C(C)CNC(CN)CC(OC)OC
InChIInChI=1S/C10H22N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h9-10,12H,1,5-7,11H2,2-4H3
InChIKeyWEWBPFOHAGHHMY-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.49
Rot. Bonds8

About 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine

4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine (PubChem CID 114616213) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine
PubChem CID114616213
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine
SMILESC=C(C)CNC(CN)CC(OC)OC
InChIInChI=1S/C10H22N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h9-10,12H,1,5-7,11H2,2-4H3
InChIKeyWEWBPFOHAGHHMY-UHFFFAOYSA-N
XLogP0.49
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.49
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethoxy-2-N-(2-methylpropyl)butane-1,2-diamine
CID 66270524
4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66268239
4,4-dimethoxy-2-N-prop-2-ynylbutane-1,2-diamine
CID 66270333
5-amino-4-(carboxymethylamino)-2-methoxypentanoic acid
CID 87496959
4-methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360
1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616122
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616165
CID 59090951
CID 59090951
(6-methoxy-2-methylhept-1-en-4-yl)hydrazine
CID 105267194
1-(4-methoxynaphthalen-1-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616035
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine (CID 114616213) is 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine is C=C(C)CNC(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine?
The InChIKey is WEWBPFOHAGHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)7-12-9(6-11)5-10(13-3)14-4/h9-10,12H,1,5-7,11H2,2-4H3.
What are the key properties of 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine?
4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-(2-methylprop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 114616213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).