2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C18H27N3 — CID 107235663

IUPAC2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)c2ccccc12)CN1CCCC1
InChIInChI=1S/C18H27N3/c1-15(13-21-9-5-6-10-21)11-19-12-16-14-20(2)18-8-4-3-7-17(16)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyZZJLQZQMQZQOAZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.00
Rot. Bonds6

About 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 107235663) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID107235663
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)c2ccccc12)CN1CCCC1
InChIInChI=1S/C18H27N3/c1-15(13-21-9-5-6-10-21)11-19-12-16-14-20(2)18-8-4-3-7-17(16)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyZZJLQZQMQZQOAZ-UHFFFAOYSA-N
XLogP3.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylcyclopentyl)methyl]-1-(1-methylindol-3-yl)methanamine
CID 107235706
2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
CID 112606832
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957592
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 107235663) is 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cn(C)c2ccccc12)CN1CCCC1.
What is the InChIKey of 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZZJLQZQMQZQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-15(13-21-9-5-6-10-21)11-19-12-16-14-20(2)18-8-4-3-7-17(16)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 107235663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).