1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine

C12H25N3 — CID 65459345

IUPAC1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2(N)CC2)C1
InChIInChI=1S/C12H25N3/c1-3-15(4-2)11-5-8-14(9-11)10-12(13)6-7-12/h11H,3-10,13H2,1-2H3
InChIKeyHDJASNNICVFBSZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.89
Rot. Bonds5

About 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine

1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 65459345) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID65459345
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2(N)CC2)C1
InChIInChI=1S/C12H25N3/c1-3-15(4-2)11-5-8-14(9-11)10-12(13)6-7-12/h11H,3-10,13H2,1-2H3
InChIKeyHDJASNNICVFBSZ-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine (CID 65459345) is 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CC2(N)CC2)C1.
What is the InChIKey of 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is HDJASNNICVFBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-15(4-2)11-5-8-14(9-11)10-12(13)6-7-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine?
1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 65459345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).