[(2S)-1-propylpyrrolidin-2-yl]methanamine

C8H18N2 — CID 12829005

IUPAC[(2S)-1-propylpyrrolidin-2-yl]methanamine
SMILESCCCN1CCC[C@H]1CN
InChIInChI=1S/C8H18N2/c1-2-5-10-6-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyTZFATUOLQKYADA-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About [(2S)-1-propylpyrrolidin-2-yl]methanamine

[(2S)-1-propylpyrrolidin-2-yl]methanamine (PubChem CID 12829005) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is [(2S)-1-propylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-propylpyrrolidin-2-yl]methanamine
PubChem CID12829005
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name[(2S)-1-propylpyrrolidin-2-yl]methanamine
SMILESCCCN1CCC[C@H]1CN
InChIInChI=1S/C8H18N2/c1-2-5-10-6-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyTZFATUOLQKYADA-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 [(2S)-1-propylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-propylpyrrolidin-2-yl]methanamine (CID 12829005) is [(2S)-1-propylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-propylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-propylpyrrolidin-2-yl]methanamine is CCCN1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-propylpyrrolidin-2-yl]methanamine?
The InChIKey is TZFATUOLQKYADA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-5-10-6-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1-propylpyrrolidin-2-yl]methanamine?
[(2S)-1-propylpyrrolidin-2-yl]methanamine 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 [(2S)-1-propylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 12829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).