N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine

C13H19N3 — CID 117173063

IUPACN-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
SMILESCCNCc1cc2c(CN)cccc2n1C
InChIInChI=1S/C13H19N3/c1-3-15-9-11-7-12-10(8-14)5-4-6-13(12)16(11)2/h4-7,15H,3,8-9,14H2,1-2H3
InChIKeyCSWIVQLDCDCJOC-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.75
Rot. Bonds4

About N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine

N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine (PubChem CID 117173063) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
PubChem CID117173063
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
SMILESCCNCc1cc2c(CN)cccc2n1C
InChIInChI=1S/C13H19N3/c1-3-15-9-11-7-12-10(8-14)5-4-6-13(12)16(11)2/h4-7,15H,3,8-9,14H2,1-2H3
InChIKeyCSWIVQLDCDCJOC-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

(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
1-ethyl-2-(ethylaminomethyl)indol-4-ol
CID 117173987
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
(1,4-dimethylindol-2-yl)methanol
CID 117120333
2-(ethylsulfonylmethyl)-1-methylindol-4-amine
CID 117173185
2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine
CID 83917650
(1-cyclopropylindol-4-yl)methanamine
CID 115017108
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine (CID 117173063) is N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine is CCNCc1cc2c(CN)cccc2n1C.
What is the InChIKey of N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine?
The InChIKey is CSWIVQLDCDCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-15-9-11-7-12-10(8-14)5-4-6-13(12)16(11)2/h4-7,15H,3,8-9,14H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine?
N-[[4-(aminomethyl)-1-methylindol-2-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-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine is sourced from PubChem (CID 117173063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).