2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine

C13H28N2O — CID 62569622

IUPAC2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-14-11-13(4)15(9-10-16-5)12(3)7-2/h6,12-14H,1,7-11H2,2-5H3
InChIKeyMBCFVZIKVDXZOJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.90
Rot. Bonds10

About 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine

2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62569622) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62569622
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O/c1-6-8-14-11-13(4)15(9-10-16-5)12(3)7-2/h6,12-14H,1,7-11H2,2-5H3
InChIKeyMBCFVZIKVDXZOJ-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 55072484
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
CID 55087956
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N-butan-2-yl-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine (CID 62569622) is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(CCOC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is MBCFVZIKVDXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-8-14-11-13(4)15(9-10-16-5)12(3)7-2/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62569622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).