3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

C11H26N4O2 — CID 83011458

IUPAC3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NN1CCN(C)CC1
InChIInChI=1S/C11H26N4O2/c1-11(9-12,10(16-3)17-4)13-15-7-5-14(2)6-8-15/h10,13H,5-9,12H2,1-4H3
InChIKeyXOAKNPTZTPEYFZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.93
Rot. Bonds6

About 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (PubChem CID 83011458) has the molecular formula C11H26N4O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
PubChem CID83011458
Molecular FormulaC11H26N4O2
Molecular Weight246.35 g/mol
Exact Mass246.21
IUPAC Name3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NN1CCN(C)CC1
InChIInChI=1S/C11H26N4O2/c1-11(9-12,10(16-3)17-4)13-15-7-5-14(2)6-8-15/h10,13H,5-9,12H2,1-4H3
InChIKeyXOAKNPTZTPEYFZ-UHFFFAOYSA-N
XLogP-0.93
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)piperazin-1-amine
CID 66848844
2-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180044
3,3-Dimethoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 66180232
2-(4-Tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
2-(4-Ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66181213
N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine
CID 83008942
N-(2,2-dimethoxyethyl)-4-methylpiperazin-1-amine
CID 83008976
3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
CID 83010835
2-(2,2-Dimethylhydrazinyl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 83011207
3,3-dimethoxy-2-methyl-2-N-piperidin-1-ylpropane-1,2-diamine
CID 83011232
4,4-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
CID 83011552
4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
CID 83012072

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (CID 83011458) is 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is COC(OC)C(C)(CN)NN1CCN(C)CC1.
What is the InChIKey of 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The InChIKey is XOAKNPTZTPEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2/c1-11(9-12,10(16-3)17-4)13-15-7-5-14(2)6-8-15/h10,13H,5-9,12H2,1-4H3.
What are the key properties of 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is sourced from PubChem (CID 83011458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).