3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine

C8H18N2 — CID 93391493

IUPAC3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
SMILESC[C@H]1CCCN1CCCN
InChIInChI=1S/C8H18N2/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyIIHQYQVGFVPFFI-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine

3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine (PubChem CID 93391493) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
PubChem CID93391493
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine
SMILESC[C@H]1CCCN1CCCN
InChIInChI=1S/C8H18N2/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyIIHQYQVGFVPFFI-QMMMGPOBSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The IUPAC name of 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine (CID 93391493) is 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine is C[C@H]1CCCN1CCCN.
What is the InChIKey of 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
The InChIKey is IIHQYQVGFVPFFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine?
3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpyrrolidin-1-yl]propan-1-amine is sourced from PubChem (CID 93391493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).