N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine

C12H24N2 — CID 62559936

IUPACN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCC(C)CC1C
InChIInChI=1S/C12H24N2/c1-4-6-13-7-9-14-8-5-11(2)10-12(14)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyGVQWXPKCLUNDPA-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine

N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 62559936) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID62559936
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCC(C)CC1C
InChIInChI=1S/C12H24N2/c1-4-6-13-7-9-14-8-5-11(2)10-12(14)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyGVQWXPKCLUNDPA-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine (CID 62559936) is N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCC(C)CC1C.
What is the InChIKey of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is GVQWXPKCLUNDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-13-7-9-14-8-5-11(2)10-12(14)3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62559936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).