6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine

C14H23N3 — CID 95146703

IUPAC6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCCN1CC[C@@H](CNc2cccc(C)n2)C1
InChIInChI=1S/C14H23N3/c1-3-8-17-9-7-13(11-17)10-15-14-6-4-5-12(2)16-14/h4-6,13H,3,7-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyXZKXWAXILJJOFB-ZDUSSCGKSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds5

About 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine

6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95146703) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID95146703
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCCCN1CC[C@@H](CNc2cccc(C)n2)C1
InChIInChI=1S/C14H23N3/c1-3-8-17-9-7-13(11-17)10-15-14-6-4-5-12(2)16-14/h4-6,13H,3,7-11H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyXZKXWAXILJJOFB-ZDUSSCGKSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine (CID 95146703) is 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine is CCCN1CC[C@@H](CNc2cccc(C)n2)C1.
What is the InChIKey of 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is XZKXWAXILJJOFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-8-17-9-7-13(11-17)10-15-14-6-4-5-12(2)16-14/h4-6,13H,3,7-11H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine?
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95146703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).