N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine

C16H23N3 — CID 117178730

IUPACN-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
SMILESCC(C)n1cc(CNC2CC2)c2ccc(CN)cc21
InChIInChI=1S/C16H23N3/c1-11(2)19-10-13(9-18-14-4-5-14)15-6-3-12(8-17)7-16(15)19/h3,6-7,10-11,14,18H,4-5,8-9,17H2,1-2H3
InChIKeyIYGHAWYGZZXYBF-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

About N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine

N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine (PubChem CID 117178730) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
PubChem CID117178730
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
SMILESCC(C)n1cc(CNC2CC2)c2ccc(CN)cc21
InChIInChI=1S/C16H23N3/c1-11(2)19-10-13(9-18-14-4-5-14)15-6-3-12(8-17)7-16(15)19/h3,6-7,10-11,14,18H,4-5,8-9,17H2,1-2H3
InChIKeyIYGHAWYGZZXYBF-UHFFFAOYSA-N
XLogP2.93
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695
3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
CID 117175748
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629

Frequently Asked Questions

What is the IUPAC name of N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine (CID 117178730) is N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine is CC(C)n1cc(CNC2CC2)c2ccc(CN)cc21.
What is the InChIKey of N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine?
The InChIKey is IYGHAWYGZZXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)19-10-13(9-18-14-4-5-14)15-6-3-12(8-17)7-16(15)19/h3,6-7,10-11,14,18H,4-5,8-9,17H2,1-2H3.
What are the key properties of N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine?
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 117178730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).