1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine

C13H20N2 — CID 68835618

IUPAC1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-14-8-13-10-15-9-12(13)7-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyCHRJZRRMAJPGEM-OLZOCXBDSA-N
MW204.32 g/mol
LogP1.28
Rot. Bonds4

About 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine

1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 68835618) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID68835618
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-14-8-13-10-15-9-12(13)7-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyCHRJZRRMAJPGEM-OLZOCXBDSA-N
XLogP1.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine (CID 68835618) is 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine is CNC[C@H]1CNC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is CHRJZRRMAJPGEM-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-8-13-10-15-9-12(13)7-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine?
1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 68835618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).