1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine

C13H28N2O — CID 103340233

IUPAC1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)C(C)CNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-15(9-10-16-6)12(2)11-14-13(3,4)5/h7,12,14H,1,8-11H2,2-6H3
InChIKeyPVFDOVLORSDHGF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.90
Rot. Bonds8

About 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine

1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine (PubChem CID 103340233) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
PubChem CID103340233
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)C(C)CNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-15(9-10-16-6)12(2)11-14-13(3,4)5/h7,12,14H,1,8-11H2,2-6H3
InChIKeyPVFDOVLORSDHGF-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
N-ethyl-N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339273
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
CID 103225490

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine (CID 103340233) is 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine is C=CCN(CCOC)C(C)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is PVFDOVLORSDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-8-15(9-10-16-6)12(2)11-14-13(3,4)5/h7,12,14H,1,8-11H2,2-6H3.
What are the key properties of 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine?
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 103340233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).