N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine

C16H22N2 — CID 79444404

IUPACN-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
SMILESCCC(C)n1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H22N2/c1-3-12(2)18-10-9-13-5-4-6-14(16(13)18)11-17-15-7-8-15/h4-6,9-10,12,15,17H,3,7-8,11H2,1-2H3
InChIKeySHFOBQCZLZGJJE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.86
Rot. Bonds5

About N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine

N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine (PubChem CID 79444404) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
PubChem CID79444404
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
SMILESCCC(C)n1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H22N2/c1-3-12(2)18-10-9-13-5-4-6-14(16(13)18)11-17-15-7-8-15/h4-6,9-10,12,15,17H,3,7-8,11H2,1-2H3
InChIKeySHFOBQCZLZGJJE-UHFFFAOYSA-N
XLogP3.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine (CID 79444404) is N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine is CCC(C)n1ccc2cccc(CNC3CC3)c21.
What is the InChIKey of N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine?
The InChIKey is SHFOBQCZLZGJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12(2)18-10-9-13-5-4-6-14(16(13)18)11-17-15-7-8-15/h4-6,9-10,12,15,17H,3,7-8,11H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine?
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine has a molecular weight of 242.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79444404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).