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

C14H28N2O — CID 114276030

IUPAC2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)(CCC)C1CC1
InChIInChI=1S/C14H28N2O/c1-4-7-14(11-15,13-5-6-13)16-8-9-17-10-12(2)3/h13,16H,2,4-11,15H2,1,3H3
InChIKeyHREIHJYZZIFAGJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.08
Rot. Bonds10

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

2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (PubChem CID 114276030) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
PubChem CID114276030
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)(CCC)C1CC1
InChIInChI=1S/C14H28N2O/c1-4-7-14(11-15,13-5-6-13)16-8-9-17-10-12(2)3/h13,16H,2,4-11,15H2,1,3H3
InChIKeyHREIHJYZZIFAGJ-UHFFFAOYSA-N
XLogP2.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (CID 114276030) is 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is C=C(C)COCCNC(CN)(CCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The InChIKey is HREIHJYZZIFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-14(11-15,13-5-6-13)16-8-9-17-10-12(2)3/h13,16H,2,4-11,15H2,1,3H3.
What are the key properties of 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 114276030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).