(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine

C14H23N3 — CID 91910927

IUPAC(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1N
InChIInChI=1S/C14H23N3/c1-16(2)9-13-10-17(11-14(13)15)8-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyRHXNZHAXWUNHDH-ZIAGYGMSSA-N
MW233.36 g/mol
LogP1.01
Rot. Bonds4

About (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine

(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine (PubChem CID 91910927) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine
PubChem CID91910927
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1N
InChIInChI=1S/C14H23N3/c1-16(2)9-13-10-17(11-14(13)15)8-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyRHXNZHAXWUNHDH-ZIAGYGMSSA-N
XLogP1.01
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine (CID 91910927) is (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine is CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1N.
What is the InChIKey of (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine?
The InChIKey is RHXNZHAXWUNHDH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)9-13-10-17(11-14(13)15)8-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine?
(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 91910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).