4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine

C13H28N2O — CID 114466224

IUPAC4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-16-7-6-15-12(9-14)8-13(3,4)5/h12,15H,1,6-10,14H2,2-5H3
InChIKeyXCYXEDNBXDVSPW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.93
Rot. Bonds8

About 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine

4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (PubChem CID 114466224) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
PubChem CID114466224
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)10-16-7-6-15-12(9-14)8-13(3,4)5/h12,15H,1,6-10,14H2,2-5H3
InChIKeyXCYXEDNBXDVSPW-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
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

6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 104531399
2-(2-methylprop-2-enoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634499
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828
2,2-Dimethyl-6-[2-(2-methylprop-2-enoxy)ethylamino]hexanenitrile
CID 106709665
2-N-[2-(2-methylprop-2-enoxy)ethyl]undecane-1,2-diamine
CID 108410644
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]heptane-1,2-diamine
CID 113589253
1-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 113589271

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (CID 114466224) is 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is C=C(C)COCCNC(CN)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The InChIKey is XCYXEDNBXDVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)10-16-7-6-15-12(9-14)8-13(3,4)5/h12,15H,1,6-10,14H2,2-5H3.
What are the key properties of 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 114466224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).