N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine

C12H24N2 — CID 79056821

IUPACN-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=CC(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C12H24N2/c1-5-11(13-6-2)12(3,4)14-9-7-8-10-14/h5,11,13H,1,6-10H2,2-4H3
InChIKeyIFRCBFFZBXGTMI-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine

N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine (PubChem CID 79056821) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
PubChem CID79056821
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine
SMILESC=CC(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C12H24N2/c1-5-11(13-6-2)12(3,4)14-9-7-8-10-14/h5,11,13H,1,6-10H2,2-4H3
InChIKeyIFRCBFFZBXGTMI-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
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-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The IUPAC name of N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine (CID 79056821) is N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine is C=CC(NCC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
The InChIKey is IFRCBFFZBXGTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11(13-6-2)12(3,4)14-9-7-8-10-14/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine?
N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-pyrrolidin-1-ylpent-1-en-3-amine is sourced from PubChem (CID 79056821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).