2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine

C13H30N2O2 — CID 106675630

IUPAC2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)CC(C)(C)OC
InChIInChI=1S/C13H30N2O2/c1-7-15(11(2)10-16-5)12(9-14)8-13(3,4)17-6/h11-12H,7-10,14H2,1-6H3
InChIKeyDFJCJYRORCKAJY-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.49
Rot. Bonds9

About 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine

2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 106675630) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
PubChem CID106675630
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)CC(C)(C)OC
InChIInChI=1S/C13H30N2O2/c1-7-15(11(2)10-16-5)12(9-14)8-13(3,4)17-6/h11-12H,7-10,14H2,1-6H3
InChIKeyDFJCJYRORCKAJY-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675545
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675498
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
CID 76912544
1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011258
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1-N-propylpentane-1,2-diamine
CID 83054922
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
3-methoxy-2-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 103226287

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine (CID 106675630) is 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine is CCN(C(C)COC)C(CN)CC(C)(C)OC.
What is the InChIKey of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is DFJCJYRORCKAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-7-15(11(2)10-16-5)12(9-14)8-13(3,4)17-6/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine?
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).