3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine

C14H30N2O2 — CID 103340293

IUPAC3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)C(CNCC(C)C)COC
InChIInChI=1S/C14H30N2O2/c1-6-7-16(8-9-17-4)14(12-18-5)11-15-10-13(2)3/h6,13-15H,1,7-12H2,2-5H3
InChIKeySOJZQSFTRABHAU-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.38
Rot. Bonds12

About 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine

3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine (PubChem CID 103340293) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
PubChem CID103340293
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)C(CNCC(C)C)COC
InChIInChI=1S/C14H30N2O2/c1-6-7-16(8-9-17-4)14(12-18-5)11-15-10-13(2)3/h6,13-15H,1,7-12H2,2-5H3
InChIKeySOJZQSFTRABHAU-UHFFFAOYSA-N
XLogP1.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103227121
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 103225187
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107381055
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
N-ethyl-N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339273

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine (CID 103340293) is 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine is C=CCN(CCOC)C(CNCC(C)C)COC.
What is the InChIKey of 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is SOJZQSFTRABHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-7-16(8-9-17-4)14(12-18-5)11-15-10-13(2)3/h6,13-15H,1,7-12H2,2-5H3.
What are the key properties of 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine?
3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.38, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 103340293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).