N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine

C11H23N3 — CID 79725125

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCCN1CCCC1CNC1CCNC1
InChIInChI=1S/C11H23N3/c1-2-14-7-3-4-11(14)9-13-10-5-6-12-8-10/h10-13H,2-9H2,1H3
InChIKeyXOUXDPYFHLXSQS-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.42
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 79725125) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID79725125
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
SMILESCCN1CCCC1CNC1CCNC1
InChIInChI=1S/C11H23N3/c1-2-14-7-3-4-11(14)9-13-10-5-6-12-8-10/h10-13H,2-9H2,1H3
InChIKeyXOUXDPYFHLXSQS-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine (CID 79725125) is N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine is CCN1CCCC1CNC1CCNC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XOUXDPYFHLXSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-14-7-3-4-11(14)9-13-10-5-6-12-8-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 197.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79725125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).