N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine

C9H18N2 — CID 144691864

IUPACN-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine
SMILESC=C(NCC)C1CC(C)CN1
InChIInChI=1S/C9H18N2/c1-4-10-8(3)9-5-7(2)6-11-9/h7,9-11H,3-6H2,1-2H3
InChIKeyLWLMRSOMBXJEOH-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.11
Rot. Bonds3

About N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine

N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine (PubChem CID 144691864) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine
PubChem CID144691864
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine
SMILESC=C(NCC)C1CC(C)CN1
InChIInChI=1S/C9H18N2/c1-4-10-8(3)9-5-7(2)6-11-9/h7,9-11H,3-6H2,1-2H3
InChIKeyLWLMRSOMBXJEOH-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine?
The IUPAC name of N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine (CID 144691864) is N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine.
What is the SMILES notation for N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine?
The canonical SMILES for N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine is C=C(NCC)C1CC(C)CN1.
What is the InChIKey of N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine?
The InChIKey is LWLMRSOMBXJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-8(3)9-5-7(2)6-11-9/h7,9-11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine?
N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine has a molecular weight of 154.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine is sourced from PubChem (CID 144691864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).