N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine

C14H19N3 — CID 117181659

IUPACN-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c2cccc(CN)c21
InChIInChI=1S/C14H19N3/c1-17-9-11(8-16-12-5-6-12)13-4-2-3-10(7-15)14(13)17/h2-4,9,12,16H,5-8,15H2,1H3
InChIKeyXIOUENYGHWFCBG-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.89
Rot. Bonds4

About N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine

N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine (PubChem CID 117181659) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
PubChem CID117181659
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c2cccc(CN)c21
InChIInChI=1S/C14H19N3/c1-17-9-11(8-16-12-5-6-12)13-4-2-3-10(7-15)14(13)17/h2-4,9,12,16H,5-8,15H2,1H3
InChIKeyXIOUENYGHWFCBG-UHFFFAOYSA-N
XLogP1.89
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
N-[3-(7-methoxy-1-methylindol-3-yl)propyl]cyclopropanamine
CID 98032946
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
CID 117183919

Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine (CID 117181659) is N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine is Cn1cc(CNC2CC2)c2cccc(CN)c21.
What is the InChIKey of N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine?
The InChIKey is XIOUENYGHWFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-9-11(8-16-12-5-6-12)13-4-2-3-10(7-15)14(13)17/h2-4,9,12,16H,5-8,15H2,1H3.
What are the key properties of N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine?
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine has a molecular weight of 229.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 117181659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).