N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine

C18H21N3 — CID 66402503

IUPACN-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-14(2)20-11-15-12-21(13-16-7-5-6-10-19-16)18-9-4-3-8-17(15)18/h3-10,12,14,20H,11,13H2,1-2H3
InChIKeyORNZASJBYLETAW-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine

N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine (PubChem CID 66402503) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
PubChem CID66402503
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-14(2)20-11-15-12-21(13-16-7-5-6-10-19-16)18-9-4-3-8-17(15)18/h3-10,12,14,20H,11,13H2,1-2H3
InChIKeyORNZASJBYLETAW-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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Related Compounds

N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
CID 66405858
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 124799232
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine (CID 66402503) is N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2ccccn2)c2ccccc12.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The InChIKey is ORNZASJBYLETAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(2)20-11-15-12-21(13-16-7-5-6-10-19-16)18-9-4-3-8-17(15)18/h3-10,12,14,20H,11,13H2,1-2H3.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine?
N-[[1-(pyridin-2-ylmethyl)indol-3-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-2-ylmethyl)indol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).