N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine

C12H19N3 — CID 116951508

IUPACN-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1cccnc1
InChIInChI=1S/C12H19N3/c1-13-12(8-11-5-3-7-15-11)10-4-2-6-14-9-10/h2,4,6,9,11-13,15H,3,5,7-8H2,1H3
InChIKeyFJPQVMBBFQMKLX-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine

N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine (PubChem CID 116951508) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
PubChem CID116951508
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1cccnc1
InChIInChI=1S/C12H19N3/c1-13-12(8-11-5-3-7-15-11)10-4-2-6-14-9-10/h2,4,6,9,11-13,15H,3,5,7-8H2,1H3
InChIKeyFJPQVMBBFQMKLX-UHFFFAOYSA-N
XLogP1.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263
N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
CID 116956967
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine (CID 116951508) is N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine is CNC(CC1CCCN1)c1cccnc1.
What is the InChIKey of N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine?
The InChIKey is FJPQVMBBFQMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-13-12(8-11-5-3-7-15-11)10-4-2-6-14-9-10/h2,4,6,9,11-13,15H,3,5,7-8H2,1H3.
What are the key properties of N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine?
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116951508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).