2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine

C12H28N2O2 — CID 116501699

IUPAC2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)C(C)COC
InChIInChI=1S/C12H28N2O2/c1-6-14(11(3)9-16-5)12(7-13)10(2)8-15-4/h10-12H,6-9,13H2,1-5H3
InChIKeyAQBFDBZGILPSIB-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.95
Rot. Bonds9

About 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine

2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 116501699) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
PubChem CID116501699
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)C(C)COC
InChIInChI=1S/C12H28N2O2/c1-6-14(11(3)9-16-5)12(7-13)10(2)8-15-4/h10-12H,6-9,13H2,1-5H3
InChIKeyAQBFDBZGILPSIB-UHFFFAOYSA-N
XLogP0.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
CID 106675630
1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011258
4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
CID 116501559
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
2,4-dimethoxy-3-methylbutan-1-amine
CID 116503390
1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 79984792
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine (CID 116501699) is 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine is CCN(C(C)COC)C(CN)C(C)COC.
What is the InChIKey of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is AQBFDBZGILPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-6-14(11(3)9-16-5)12(7-13)10(2)8-15-4/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine?
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.95, 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)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 116501699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).