N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine

C16H23N3 — CID 117178236

IUPACN-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
SMILESCn1cc(CNC2CCCC2)c2ccc(CN)cc21
InChIInChI=1S/C16H23N3/c1-19-11-13(10-18-14-4-2-3-5-14)15-7-6-12(9-17)8-16(15)19/h6-8,11,14,18H,2-5,9-10,17H2,1H3
InChIKeyBXTIOUDRELGVCI-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.67
Rot. Bonds4

About N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine

N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine (PubChem CID 117178236) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
PubChem CID117178236
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
SMILESCn1cc(CNC2CCCC2)c2ccc(CN)cc21
InChIInChI=1S/C16H23N3/c1-19-11-13(10-18-14-4-2-3-5-14)15-7-6-12(9-17)8-16(15)19/h6-8,11,14,18H,2-5,9-10,17H2,1H3
InChIKeyBXTIOUDRELGVCI-UHFFFAOYSA-N
XLogP2.67
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
CID 117178816
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738

Frequently Asked Questions

What is the IUPAC name of N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine (CID 117178236) is N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine is Cn1cc(CNC2CCCC2)c2ccc(CN)cc21.
What is the InChIKey of N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine?
The InChIKey is BXTIOUDRELGVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-11-13(10-18-14-4-2-3-5-14)15-7-6-12(9-17)8-16(15)19/h6-8,11,14,18H,2-5,9-10,17H2,1H3.
What are the key properties of N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine?
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine has a molecular weight of 257.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 117178236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).