2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

C12H24N2O — CID 114465965

IUPAC2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CCCC1CN
InChIInChI=1S/C12H24N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-9,13H2,2H3
InChIKeyGTRFBYALHAPESZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.30
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine

2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (PubChem CID 114465965) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
PubChem CID114465965
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
SMILESC=C(C)COCCNC1CCCC1CN
InChIInChI=1S/C12H24N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-9,13H2,2H3
InChIKeyGTRFBYALHAPESZ-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.30
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-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine (CID 114465965) is 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is C=C(C)COCCNC1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
The InChIKey is GTRFBYALHAPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)9-15-7-6-14-12-5-3-4-11(12)8-13/h11-12,14H,1,3-9,13H2,2H3.
What are the key properties of 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine?
2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 114465965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).