N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine

C15H25N3 — CID 112741930

IUPACN-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2c(C)ccnc2C)C1
InChIInChI=1S/C15H25N3/c1-4-7-16-10-14-6-9-18(11-14)15-12(2)5-8-17-13(15)3/h5,8,14,16H,4,6-7,9-11H2,1-3H3
InChIKeyUTPRTBGWRRUXBL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 112741930) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID112741930
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(c2c(C)ccnc2C)C1
InChIInChI=1S/C15H25N3/c1-4-7-16-10-14-6-9-18(11-14)15-12(2)5-8-17-13(15)3/h5,8,14,16H,4,6-7,9-11H2,1-3H3
InChIKeyUTPRTBGWRRUXBL-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512063
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-[[1-(3,5-dichlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513027
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336
N-[[1-(4-bromo-3-chlorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107613124
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 106535576
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 112741930) is N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(c2c(C)ccnc2C)C1.
What is the InChIKey of N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is UTPRTBGWRRUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-7-16-10-14-6-9-18(11-14)15-12(2)5-8-17-13(15)3/h5,8,14,16H,4,6-7,9-11H2,1-3H3.
What are the key properties of N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 112741930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).