N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine

C12H28N2O2 — CID 62260121

IUPACN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOCCCN(CCOC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2/c1-12(2,10-13)11-14(7-9-16-4)6-5-8-15-3/h5-11,13H2,1-4H3
InChIKeyUQEROCROKJXZIG-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.96
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 62260121) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID62260121
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOCCCN(CCOC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2/c1-12(2,10-13)11-14(7-9-16-4)6-5-8-15-3/h5-11,13H2,1-4H3
InChIKeyUQEROCROKJXZIG-UHFFFAOYSA-N
XLogP0.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
CID 115919423
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
CID 79662075
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
CID 79841843
N'-cyclopropyl-N,N-bis(2-methoxyethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259169

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine (CID 62260121) is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine is COCCCN(CCOC)CC(C)(C)CN.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is UQEROCROKJXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,10-13)11-14(7-9-16-4)6-5-8-15-3/h5-11,13H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).