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

C15H30N2 — CID 79179722

IUPAC5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCC(CC)(C(C=C(C)C)NC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-15(7-2,17-10-8-9-11-17)14(16-5)12-13(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyFPKVVXGFIKBHNS-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

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

5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine (PubChem CID 79179722) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
PubChem CID79179722
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCC(CC)(C(C=C(C)C)NC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-15(7-2,17-10-8-9-11-17)14(16-5)12-13(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyFPKVVXGFIKBHNS-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
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 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine (CID 79179722) is 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine is CCC(CC)(C(C=C(C)C)NC)N1CCCC1.
What is the InChIKey of 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The InChIKey is FPKVVXGFIKBHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(7-2,17-10-8-9-11-17)14(16-5)12-13(3)4/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-5-pyrrolidin-1-ylhept-2-en-4-amine is sourced from PubChem (CID 79179722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).