3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine

C13H26N2O — CID 114466558

IUPAC3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CC1CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-16-7-6-15-13(3,10-14)8-12-4-5-12/h12,15H,1,4-10,14H2,2-3H3
InChIKeyNJBDGSNJYFMABR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.69
Rot. Bonds9

About 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine

3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine (PubChem CID 114466558) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
PubChem CID114466558
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
SMILESC=C(C)COCCNC(C)(CN)CC1CC1
InChIInChI=1S/C13H26N2O/c1-11(2)9-16-7-6-15-13(3,10-14)8-12-4-5-12/h12,15H,1,4-10,14H2,2-3H3
InChIKeyNJBDGSNJYFMABR-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.69
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 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine (CID 114466558) is 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine is C=C(C)COCCNC(C)(CN)CC1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
The InChIKey is NJBDGSNJYFMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)9-16-7-6-15-13(3,10-14)8-12-4-5-12/h12,15H,1,4-10,14H2,2-3H3.
What are the key properties of 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine?
3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 114466558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).