N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine

C18H21N3 — CID 102916071

IUPACN-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C18H21N3/c1-14(2)20-12-16-3-4-18-17(11-16)7-10-21(18)13-15-5-8-19-9-6-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyJOHNPORLYCXGKZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine

N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine (PubChem CID 102916071) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
PubChem CID102916071
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C18H21N3/c1-14(2)20-12-16-3-4-18-17(11-16)7-10-21(18)13-15-5-8-19-9-6-15/h3-11,14,20H,12-13H2,1-2H3
InChIKeyJOHNPORLYCXGKZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine (CID 102916071) is N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine is CC(C)NCc1ccc2c(ccn2Cc2ccncc2)c1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The InChIKey is JOHNPORLYCXGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(2)20-12-16-3-4-18-17(11-16)7-10-21(18)13-15-5-8-19-9-6-15/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine?
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.58, 5 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-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 102916071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).