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

C12H25N3 — CID 60855604

IUPACN-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCNC1CCN(CC2CCN(C)C2)C1
InChIInChI=1S/C12H25N3/c1-3-13-12-5-7-15(10-12)9-11-4-6-14(2)8-11/h11-13H,3-10H2,1-2H3
InChIKeyRUMNIJOIZVGFIC-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds4

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

N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 60855604) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID60855604
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
SMILESCCNC1CCN(CC2CCN(C)C2)C1
InChIInChI=1S/C12H25N3/c1-3-13-12-5-7-15(10-12)9-11-4-6-14(2)8-11/h11-13H,3-10H2,1-2H3
InChIKeyRUMNIJOIZVGFIC-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-ethyl-1-methylpyrrolidin-3-amine
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CID 91076438
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
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CID 122156751
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
(3R)-1-methyl-N-propylpyrrolidin-3-amine
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N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
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CID 114223582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine (CID 60855604) is N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is CCNC1CCN(CC2CCN(C)C2)C1.
What is the InChIKey of N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RUMNIJOIZVGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-13-12-5-7-15(10-12)9-11-4-6-14(2)8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine?
N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 60855604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).