[(3S)-1-methylpyrrolidin-3-yl]methanamine

C6H14N2 — CID 42579938

IUPAC[(3S)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CN)C1
InChIInChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyBAOBZCAXECCBQL-LURJTMIESA-N
MW114.19 g/mol
LogP-0.10
Rot. Bonds1

About [(3S)-1-methylpyrrolidin-3-yl]methanamine

[(3S)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 42579938) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is [(3S)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID42579938
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name[(3S)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CN)C1
InChIInChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyBAOBZCAXECCBQL-LURJTMIESA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-methylpyrrolidin-3-yl]methanamine (CID 42579938) is [(3S)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-methylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BAOBZCAXECCBQL-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3/t6-/m0/s1.
What are the key properties of [(3S)-1-methylpyrrolidin-3-yl]methanamine?
[(3S)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 114.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 42579938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).