N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine

C18H21N3 — CID 102916765

IUPACN-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C18H21N3/c1-2-8-20-13-16-3-4-17-7-11-21(18(17)12-16)14-15-5-9-19-10-6-15/h3-7,9-12,20H,2,8,13-14H2,1H3
InChIKeyYIYBHKQEIRCXSE-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds6

About N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine

N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine (PubChem CID 102916765) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
PubChem CID102916765
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C18H21N3/c1-2-8-20-13-16-3-4-17-7-11-21(18(17)12-16)14-15-5-9-19-10-6-15/h3-7,9-12,20H,2,8,13-14H2,1H3
InChIKeyYIYBHKQEIRCXSE-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.58
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-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
CID 102916816
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
CID 106930226
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
CID 102916032
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine (CID 102916765) is N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine is CCCNCc1ccc2ccn(Cc3ccncc3)c2c1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The InChIKey is YIYBHKQEIRCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-8-20-13-16-3-4-17-7-11-21(18(17)12-16)14-15-5-9-19-10-6-15/h3-7,9-12,20H,2,8,13-14H2,1H3.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine?
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 102916765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).