1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine

C17H22N2 — CID 145177364

IUPAC1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine
SMILESCc1cccc2c(N)cn(CC3(C4CC4)CCC3)c12
InChIInChI=1S/C17H22N2/c1-12-4-2-5-14-15(18)10-19(16(12)14)11-17(8-3-9-17)13-6-7-13/h2,4-5,10,13H,3,6-9,11,18H2,1H3
InChIKeyNYLRAIOFJGCTKZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.11
Rot. Bonds3

About 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine

1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine (PubChem CID 145177364) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine
PubChem CID145177364
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine
SMILESCc1cccc2c(N)cn(CC3(C4CC4)CCC3)c12
InChIInChI=1S/C17H22N2/c1-12-4-2-5-14-15(18)10-19(16(12)14)11-17(8-3-9-17)13-6-7-13/h2,4-5,10,13H,3,6-9,11,18H2,1H3
InChIKeyNYLRAIOFJGCTKZ-UHFFFAOYSA-N
XLogP4.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine?
The IUPAC name of 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine (CID 145177364) is 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine.
What is the SMILES notation for 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine?
The canonical SMILES for 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine is Cc1cccc2c(N)cn(CC3(C4CC4)CCC3)c12.
What is the InChIKey of 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine?
The InChIKey is NYLRAIOFJGCTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-4-2-5-14-15(18)10-19(16(12)14)11-17(8-3-9-17)13-6-7-13/h2,4-5,10,13H,3,6-9,11,18H2,1H3.
What are the key properties of 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine?
1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine has a molecular weight of 254.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclobutyl)methyl]-7-methylindol-3-amine is sourced from PubChem (CID 145177364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).