(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine

C8H18N2 — CID 14804464

IUPAC(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
SMILESCN[C@@H](C)CN1CCCC1
InChIInChI=1S/C8H18N2/c1-8(9-2)7-10-5-3-4-6-10/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVSLNKWOMKLPDMK-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds3

About (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine

(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 14804464) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID14804464
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
SMILESCN[C@@H](C)CN1CCCC1
InChIInChI=1S/C8H18N2/c1-8(9-2)7-10-5-3-4-6-10/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVSLNKWOMKLPDMK-QMMMGPOBSA-N
XLogP0.69
TPSA15.27 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine (CID 14804464) is (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine is CN[C@@H](C)CN1CCCC1.
What is the InChIKey of (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is VSLNKWOMKLPDMK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(9-2)7-10-5-3-4-6-10/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
(2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 14804464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).