[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine

C16H22N2 — CID 82278337

IUPAC[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine
SMILESCC(C)c1cccc2c(C3(CN)CC3)cn(C)c12
InChIInChI=1S/C16H22N2/c1-11(2)12-5-4-6-13-14(9-18(3)15(12)13)16(10-17)7-8-16/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyCEAULRYAUZDJDY-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.29
Rot. Bonds3

About [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine

[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine (PubChem CID 82278337) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine
PubChem CID82278337
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine
SMILESCC(C)c1cccc2c(C3(CN)CC3)cn(C)c12
InChIInChI=1S/C16H22N2/c1-11(2)12-5-4-6-13-14(9-18(3)15(12)13)16(10-17)7-8-16/h4-6,9,11H,7-8,10,17H2,1-3H3
InChIKeyCEAULRYAUZDJDY-UHFFFAOYSA-N
XLogP3.29
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine (CID 82278337) is [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine is CC(C)c1cccc2c(C3(CN)CC3)cn(C)c12.
What is the InChIKey of [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine?
The InChIKey is CEAULRYAUZDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)12-5-4-6-13-14(9-18(3)15(12)13)16(10-17)7-8-16/h4-6,9,11H,7-8,10,17H2,1-3H3.
What are the key properties of [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine?
[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82278337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).