N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

C14H28N2 — CID 114597222

IUPACN-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C14H28N2/c1-6-7-15-9-13(4)16-10-11(2)8-12(3)14(16)5/h6,11-15H,1,7-10H2,2-5H3
InChIKeyACXVVGYDCQEWOQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.52
Rot. Bonds5

About N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (PubChem CID 114597222) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
PubChem CID114597222
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C14H28N2/c1-6-7-15-9-13(4)16-10-11(2)8-12(3)14(16)5/h6,11-15H,1,7-10H2,2-5H3
InChIKeyACXVVGYDCQEWOQ-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.52
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-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (CID 114597222) is N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is C=CCNCC(C)N1CC(C)CC(C)C1C.
What is the InChIKey of N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is ACXVVGYDCQEWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-15-9-13(4)16-10-11(2)8-12(3)14(16)5/h6,11-15H,1,7-10H2,2-5H3.
What are the key properties of N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114597222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).