N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine

C13H19N3 — CID 117174929

IUPACN-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(C)c2ccc(CN)cc12
InChIInChI=1S/C13H19N3/c1-3-15-8-11-9-16(2)13-5-4-10(7-14)6-12(11)13/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyHGSPYBMTTVNGBV-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.75
Rot. Bonds4

About N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine

N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine (PubChem CID 117174929) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
PubChem CID117174929
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(C)c2ccc(CN)cc12
InChIInChI=1S/C13H19N3/c1-3-15-8-11-9-16(2)13-5-4-10(7-14)6-12(11)13/h4-6,9,15H,3,7-8,14H2,1-2H3
InChIKeyHGSPYBMTTVNGBV-UHFFFAOYSA-N
XLogP1.75
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
CID 117173063

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine (CID 117174929) is N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine is CCNCc1cn(C)c2ccc(CN)cc12.
What is the InChIKey of N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine?
The InChIKey is HGSPYBMTTVNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-15-8-11-9-16(2)13-5-4-10(7-14)6-12(11)13/h4-6,9,15H,3,7-8,14H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine?
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine is sourced from PubChem (CID 117174929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).