1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine

C18H21N3 — CID 102917234

IUPAC1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
SMILESCc1cncc(Cn2ccc3cccc(CC(C)N)c32)c1
InChIInChI=1S/C18H21N3/c1-13-8-15(11-20-10-13)12-21-7-6-16-4-3-5-17(18(16)21)9-14(2)19/h3-8,10-11,14H,9,12,19H2,1-2H3
InChIKeyZHNOOSPDZXYEFE-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.28
Rot. Bonds4

About 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine

1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine (PubChem CID 102917234) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
PubChem CID102917234
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
SMILESCc1cncc(Cn2ccc3cccc(CC(C)N)c32)c1
InChIInChI=1S/C18H21N3/c1-13-8-15(11-20-10-13)12-21-7-6-16-4-3-5-17(18(16)21)9-14(2)19/h3-8,10-11,14H,9,12,19H2,1-2H3
InChIKeyZHNOOSPDZXYEFE-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
CID 102879264
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 102878793
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
CID 102917327

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine?
The IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine (CID 102917234) is 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine is Cc1cncc(Cn2ccc3cccc(CC(C)N)c32)c1.
What is the InChIKey of 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine?
The InChIKey is ZHNOOSPDZXYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-8-15(11-20-10-13)12-21-7-6-16-4-3-5-17(18(16)21)9-14(2)19/h3-8,10-11,14H,9,12,19H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine?
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine is sourced from PubChem (CID 102917234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).