N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine

C9H18N2 — CID 91561963

IUPACN-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine
SMILESC=CN1CCCC1CNCC
InChIInChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyZBCHJQBOFGKYSI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds4

About N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine

N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 91561963) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID91561963
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine
SMILESC=CN1CCCC1CNCC
InChIInChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyZBCHJQBOFGKYSI-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine (CID 91561963) is N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine is C=CN1CCCC1CNCC.
What is the InChIKey of N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is ZBCHJQBOFGKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine?
N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 154.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 91561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).