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

C16H27N3O — CID 134696870

IUPAC1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
SMILESCOCCN1CCC(CN(C)Cc2cccnc2C)C1
InChIInChI=1S/C16H27N3O/c1-14-16(5-4-7-17-14)13-18(2)11-15-6-8-19(12-15)9-10-20-3/h4-5,7,15H,6,8-13H2,1-3H3
InChIKeySIRJRKSNJPBDNE-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.79
Rot. Bonds7

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

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 134696870) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
PubChem CID134696870
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
SMILESCOCCN1CCC(CN(C)Cc2cccnc2C)C1
InChIInChI=1S/C16H27N3O/c1-14-16(5-4-7-17-14)13-18(2)11-15-6-8-19(12-15)9-10-20-3/h4-5,7,15H,6,8-13H2,1-3H3
InChIKeySIRJRKSNJPBDNE-UHFFFAOYSA-N
XLogP1.79
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
(R)-Nicotine
CID 157672
Nicotine hydrochloride
CID 5284430
Nicotyrine
CID 10249
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
Triprolidine hydrochloride monohydrate
CID 5284472
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
4-(2-(2-Pyridyl)ethyl)morpholine
CID 95909

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine (CID 134696870) is 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine is COCCN1CCC(CN(C)Cc2cccnc2C)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is SIRJRKSNJPBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-16(5-4-7-17-14)13-18(2)11-15-6-8-19(12-15)9-10-20-3/h4-5,7,15H,6,8-13H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 134696870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).