N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine

C16H32N2 — CID 79179933

IUPACN,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-16(7-2,18-11-9-10-12-18)15(17-8-3)13-14(4)5/h13,15,17H,6-12H2,1-5H3
InChIKeyJEVALWMJFMUJLH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.59
Rot. Bonds7

About N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine

N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine (PubChem CID 79179933) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine.

Molecular Properties

Compound NameN,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine
PubChem CID79179933
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H32N2/c1-6-16(7-2,18-11-9-10-12-18)15(17-8-3)13-14(4)5/h13,15,17H,6-12H2,1-5H3
InChIKeyJEVALWMJFMUJLH-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The IUPAC name of N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine (CID 79179933) is N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine.
What is the SMILES notation for N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The canonical SMILES for N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine is CCNC(C=C(C)C)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
The InChIKey is JEVALWMJFMUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-16(7-2,18-11-9-10-12-18)15(17-8-3)13-14(4)5/h13,15,17H,6-12H2,1-5H3.
What are the key properties of N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine?
N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-2-methyl-5-pyrrolidin-1-ylhept-2-en-4-amine is sourced from PubChem (CID 79179933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).