2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine

C12H26N2 — CID 102776237

IUPAC2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCC1NCCC1C
InChIInChI=1S/C12H26N2/c1-4-11(5-2)8-13-9-12-10(3)6-7-14-12/h10-14H,4-9H2,1-3H3
InChIKeySISDTKMHQRXLOK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds6

About 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine

2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine (PubChem CID 102776237) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine
PubChem CID102776237
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCC1NCCC1C
InChIInChI=1S/C12H26N2/c1-4-11(5-2)8-13-9-12-10(3)6-7-14-12/h10-14H,4-9H2,1-3H3
InChIKeySISDTKMHQRXLOK-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine (CID 102776237) is 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine is CCC(CC)CNCC1NCCC1C.
What is the InChIKey of 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine?
The InChIKey is SISDTKMHQRXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(5-2)8-13-9-12-10(3)6-7-14-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine?
2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 102776237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).