5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine

C17H34N2 — CID 79180127

IUPAC5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2/c1-6-11-18-16(14-15(4)5)17(7-2,8-3)19-12-9-10-13-19/h14,16,18H,6-13H2,1-5H3
InChIKeyCRCYYZSSDBJSAU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.98
Rot. Bonds8

About 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine

5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine (PubChem CID 79180127) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
PubChem CID79180127
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2/c1-6-11-18-16(14-15(4)5)17(7-2,8-3)19-12-9-10-13-19/h14,16,18H,6-13H2,1-5H3
InChIKeyCRCYYZSSDBJSAU-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.98
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-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine (CID 79180127) is 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine is CCCNC(C=C(C)C)C(CC)(CC)N1CCCC1.
What is the InChIKey of 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The InChIKey is CRCYYZSSDBJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-6-11-18-16(14-15(4)5)17(7-2,8-3)19-12-9-10-13-19/h14,16,18H,6-13H2,1-5H3.
What are the key properties of 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-propyl-5-pyrrolidin-1-ylhept-2-en-4-amine is sourced from PubChem (CID 79180127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).