2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine

C13H26N2 — CID 64918235

IUPAC2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine
SMILESCCC1CCCN1C(CC)(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-3-12-6-5-9-15(12)13(4-2,10-14)11-7-8-11/h11-12H,3-10,14H2,1-2H3
InChIKeyAWPMCLGHLGZWRW-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds5

About 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine

2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine (PubChem CID 64918235) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine
PubChem CID64918235
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine
SMILESCCC1CCCN1C(CC)(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-3-12-6-5-9-15(12)13(4-2,10-14)11-7-8-11/h11-12H,3-10,14H2,1-2H3
InChIKeyAWPMCLGHLGZWRW-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine (CID 64918235) is 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine is CCC1CCCN1C(CC)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is AWPMCLGHLGZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-12-6-5-9-15(12)13(4-2,10-14)11-7-8-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine?
2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 64918235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).