N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine

C13H21N3 — CID 102775633

IUPACN-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC1CCNC1CN(C)Cc1ccncc1
InChIInChI=1S/C13H21N3/c1-11-3-8-15-13(11)10-16(2)9-12-4-6-14-7-5-12/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyYPWPOOPGXFMDSF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine

N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 102775633) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID102775633
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCC1CCNC1CN(C)Cc1ccncc1
InChIInChI=1S/C13H21N3/c1-11-3-8-15-13(11)10-16(2)9-12-4-6-14-7-5-12/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyYPWPOOPGXFMDSF-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
4-Ethylpyridine
CID 10822
4-Pyridinemethanamine
CID 77317
(R)-Nicotine
CID 157672

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 102775633) is N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine is CC1CCNC1CN(C)Cc1ccncc1.
What is the InChIKey of N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is YPWPOOPGXFMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-3-8-15-13(11)10-16(2)9-12-4-6-14-7-5-12/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 102775633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).