4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine

C14H31N3O2 — CID 66178631

IUPAC4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
SMILESCOC(CC(C)(CN)N(C)C1CCN(C)CC1)OC
InChIInChI=1S/C14H31N3O2/c1-14(11-15,10-13(18-4)19-5)17(3)12-6-8-16(2)9-7-12/h12-13H,6-11,15H2,1-5H3
InChIKeyLUBWQCVIGWFEFX-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.74
Rot. Bonds7

About 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine

4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine (PubChem CID 66178631) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
PubChem CID66178631
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
SMILESCOC(CC(C)(CN)N(C)C1CCN(C)CC1)OC
InChIInChI=1S/C14H31N3O2/c1-14(11-15,10-13(18-4)19-5)17(3)12-6-8-16(2)9-7-12/h12-13H,6-11,15H2,1-5H3
InChIKeyLUBWQCVIGWFEFX-UHFFFAOYSA-N
XLogP0.74
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethoxy-2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 66180210
4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 61870306
4-Methoxy-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 61870513
1-(1-amino-4-methoxy-2-methylbutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 61871136
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 61872980
4-Methoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
CID 61873173
4-methoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546048
1-(1-amino-4-methoxy-2-methylbutan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 65957221
4,4-Dimethoxy-2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 66165758
4,4-Dimethoxy-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 66165760
2-N,2-N-diethyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66165761
4,4-Dimethoxy-2-methyl-2-(2-methylpiperidin-1-yl)butan-1-amine
CID 66165762

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine (CID 66178631) is 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine is COC(CC(C)(CN)N(C)C1CCN(C)CC1)OC.
What is the InChIKey of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
The InChIKey is LUBWQCVIGWFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-14(11-15,10-13(18-4)19-5)17(3)12-6-8-16(2)9-7-12/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine?
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 66178631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).