N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine

C18H21N3 — CID 102914247

IUPACN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C18H21N3/c1-2-10-19-13-16-7-5-6-15-9-12-21(18(15)16)14-17-8-3-4-11-20-17/h3-9,11-12,19H,2,10,13-14H2,1H3
InChIKeyAKJGHUMOCGSEDB-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds6

About N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine

N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine (PubChem CID 102914247) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
PubChem CID102914247
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C18H21N3/c1-2-10-19-13-16-7-5-6-15-9-12-21(18(15)16)14-17-8-3-4-11-20-17/h3-9,11-12,19H,2,10,13-14H2,1H3
InChIKeyAKJGHUMOCGSEDB-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-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
CID 102914709
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine (CID 102914247) is N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine is CCCNCc1cccc2ccn(Cc3ccccn3)c12.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine?
The InChIKey is AKJGHUMOCGSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-10-19-13-16-7-5-6-15-9-12-21(18(15)16)14-17-8-3-4-11-20-17/h3-9,11-12,19H,2,10,13-14H2,1H3.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine?
N-[[1-(pyridin-2-ylmethyl)indol-7-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-2-ylmethyl)indol-7-yl]methyl]propan-1-amine is sourced from PubChem (CID 102914247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).