N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine

C9H18N2 — CID 142223489

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine
SMILESC=CNCC1CCCN1CC
InChIInChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyLTHXMAYMHKEUEE-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine

N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine (PubChem CID 142223489) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine
PubChem CID142223489
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine
SMILESC=CNCC1CCCN1CC
InChIInChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyLTHXMAYMHKEUEE-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-ethylpyrrolidin-2-yl)methyl]ethenamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine (CID 142223489) is N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine is C=CNCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine?
The InChIKey is LTHXMAYMHKEUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-10-8-9-6-5-7-11(9)4-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]ethenamine 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-ethylpyrrolidin-2-yl)methyl]ethenamine is sourced from PubChem (CID 142223489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).