2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine

C14H28N2 — CID 79177315

IUPAC2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(NCCC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-9-15-13(12(2)3)14(4,5)16-10-7-8-11-16/h13,15H,2,6-11H2,1,3-5H3
InChIKeyCERYUYKOJLCKPR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds6

About 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine

2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 79177315) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID79177315
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=C(C)C(NCCC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-9-15-13(12(2)3)14(4,5)16-10-7-8-11-16/h13,15H,2,6-11H2,1,3-5H3
InChIKeyCERYUYKOJLCKPR-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine (CID 79177315) is 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine is C=C(C)C(NCCC)C(C)(C)N1CCCC1.
What is the InChIKey of 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is CERYUYKOJLCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-9-15-13(12(2)3)14(4,5)16-10-7-8-11-16/h13,15H,2,6-11H2,1,3-5H3.
What are the key properties of 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-propyl-4-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 79177315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).