(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine

C19H25N3 — CID 97055439

IUPAC(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1
InChIInChI=1S/C19H25N3/c1-15-12-22(13-17-8-4-3-5-9-17)14-19(15)20-11-18-10-6-7-16(2)21-18/h3-10,15,19-20H,11-14H2,1-2H3/t15-,19-/m0/s1
InChIKeyMFQLFQSPNIRQRK-KXBFYZLASA-N
MW295.43 g/mol
LogP3.00
Rot. Bonds5

About (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine

(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine (PubChem CID 97055439) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
PubChem CID97055439
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
SMILESCc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1
InChIInChI=1S/C19H25N3/c1-15-12-22(13-17-8-4-3-5-9-17)14-19(15)20-11-18-10-6-7-16(2)21-18/h3-10,15,19-20H,11-14H2,1-2H3/t15-,19-/m0/s1
InChIKeyMFQLFQSPNIRQRK-KXBFYZLASA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine
CID 132523646
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol
CID 97055613
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 130751518
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81326890
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine (CID 97055439) is (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine is Cc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1.
What is the InChIKey of (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine?
The InChIKey is MFQLFQSPNIRQRK-KXBFYZLASA-N. The full InChI is InChI=1S/C19H25N3/c1-15-12-22(13-17-8-4-3-5-9-17)14-19(15)20-11-18-10-6-7-16(2)21-18/h3-10,15,19-20H,11-14H2,1-2H3/t15-,19-/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine?
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine has a molecular weight of 295.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97055439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).