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

C13H28N2O — CID 114466486

IUPAC3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-12(6-2)13(9-14)15-7-8-16-10-11(3)4/h12-13,15H,3,5-10,14H2,1-2,4H3
InChIKeyGANZIXHIURXJHP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.93
Rot. Bonds10

About 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine

3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (PubChem CID 114466486) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
PubChem CID114466486
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-12(6-2)13(9-14)15-7-8-16-10-11(3)4/h12-13,15H,3,5-10,14H2,1-2,4H3
InChIKeyGANZIXHIURXJHP-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914528
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104859927
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-N-[2-(2-methylprop-2-enoxy)ethyl]undecane-1,2-diamine
CID 108410644
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 108417195
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (CID 114466486) is 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is C=C(C)COCCNC(CN)C(CC)CC.
What is the InChIKey of 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The InChIKey is GANZIXHIURXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12(6-2)13(9-14)15-7-8-16-10-11(3)4/h12-13,15H,3,5-10,14H2,1-2,4H3.
What are the key properties of 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
3-ethyl-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, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 114466486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).