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

C11H23N3 — CID 79731365

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN1CCC(CNC2CCNC2)C1
InChIInChI=1S/C11H23N3/c1-2-14-6-4-10(9-14)7-13-11-3-5-12-8-11/h10-13H,2-9H2,1H3
InChIKeyWXPSXZTZPGMEME-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.28
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 79731365) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID79731365
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN1CCC(CNC2CCNC2)C1
InChIInChI=1S/C11H23N3/c1-2-14-6-4-10(9-14)7-13-11-3-5-12-8-11/h10-13H,2-9H2,1H3
InChIKeyWXPSXZTZPGMEME-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (CID 79731365) is N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is CCN1CCC(CNC2CCNC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WXPSXZTZPGMEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-14-6-4-10(9-14)7-13-11-3-5-12-8-11/h10-13H,2-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 197.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79731365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).