N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

C13H21N3 — CID 81319065

IUPACN-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C13H21N3/c1-11-3-4-13(15-7-11)10-16-6-5-12(9-16)8-14-2/h3-4,7,12,14H,5-6,8-10H2,1-2H3
InChIKeyXTJJQFAQGVPZFH-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 81319065) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID81319065
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C13H21N3/c1-11-3-4-13(15-7-11)10-16-6-5-12(9-16)8-14-2/h3-4,7,12,14H,5-6,8-10H2,1-2H3
InChIKeyXTJJQFAQGVPZFH-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
4-methyl-1-[(5-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 81319689
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 81318609
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
6-methyl-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 79158948
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921290

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (CID 81319065) is N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is CNCC1CCN(Cc2ccc(C)cn2)C1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is XTJJQFAQGVPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-3-4-13(15-7-11)10-16-6-5-12(9-16)8-14-2/h3-4,7,12,14H,5-6,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81319065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).