N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine

C14H28N2 — CID 79177314

IUPACN-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-15-13(11-12(2)3)14(4,5)16-9-7-8-10-16/h11,13,15H,6-10H2,1-5H3
InChIKeyRQQCSMIVXGGTFP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine

N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (PubChem CID 79177314) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
PubChem CID79177314
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-6-15-13(11-12(2)3)14(4,5)16-9-7-8-10-16/h11,13,15H,6-10H2,1-5H3
InChIKeyRQQCSMIVXGGTFP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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 N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine (CID 79177314) is N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is CCNC(C=C(C)C)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
The InChIKey is RQQCSMIVXGGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-15-13(11-12(2)3)14(4,5)16-9-7-8-10-16/h11,13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine?
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine is sourced from PubChem (CID 79177314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).