N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine

C17H25N3 — CID 79108315

IUPACN-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2ccncc2)c1
InChIInChI=1S/C17H25N3/c1-3-5-17(19-9-4-2)16-8-12-20(14-16)13-15-6-10-18-11-7-15/h6-8,10-12,14,17,19H,3-5,9,13H2,1-2H3
InChIKeyKIUNEGHZTNIODI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.77
Rot. Bonds8

About N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine

N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79108315) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79108315
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2ccncc2)c1
InChIInChI=1S/C17H25N3/c1-3-5-17(19-9-4-2)16-8-12-20(14-16)13-15-6-10-18-11-7-15/h6-8,10-12,14,17,19H,3-5,9,13H2,1-2H3
InChIKeyKIUNEGHZTNIODI-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79109290
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 104801349
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109130
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79107982
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
CID 106717780

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine (CID 79108315) is N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine is CCCNC(CCC)c1ccn(Cc2ccncc2)c1.
What is the InChIKey of N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is KIUNEGHZTNIODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-17(19-9-4-2)16-8-12-20(14-16)13-15-6-10-18-11-7-15/h6-8,10-12,14,17,19H,3-5,9,13H2,1-2H3.
What are the key properties of N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine?
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).