N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine

C13H21N3O — CID 63984106

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(CNCCN2CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-17-13-6-4-5-12(15-13)11-14-7-10-16-8-2-3-9-16/h4-6,14H,2-3,7-11H2,1H3
InChIKeyNPCBPFVORJWZAT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.28
Rot. Bonds6

About N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 63984106) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID63984106
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(CNCCN2CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-17-13-6-4-5-12(15-13)11-14-7-10-16-8-2-3-9-16/h4-6,14H,2-3,7-11H2,1H3
InChIKeyNPCBPFVORJWZAT-UHFFFAOYSA-N
XLogP1.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
3-methoxy-N-[[6-[(3-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 134138553
2-Methoxy-6-methylpyridine
CID 5324773
N-ethyl-6-methoxypyridin-3-amine
CID 20786149
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 91970493
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-Ethynyl-6-methoxypyridine
CID 9877376
(3-Amino-6-methoxypyridin-2-yl)acetonitrile
CID 14025399
6-Methoxy-alpha-methyl-2-pyridinemethanamine
CID 59478634
(6-Methoxypyridin-2-yl)methanamine
CID 13882973
alpha-Cyclopropyl-6-methoxy-2-pyridinemethanamine
CID 22398654

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 63984106) is N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine is COc1cccc(CNCCN2CCCC2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is NPCBPFVORJWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-6-4-5-12(15-13)11-14-7-10-16-8-2-3-9-16/h4-6,14H,2-3,7-11H2,1H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63984106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).