1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine

C22H26N2 — CID 24825442

IUPAC1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2
InChIKeyRGRGORMCSWGRSY-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.30
Rot. Bonds5

About 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine

1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine (PubChem CID 24825442) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine
PubChem CID24825442
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2
InChIKeyRGRGORMCSWGRSY-UHFFFAOYSA-N
XLogP5.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine (CID 24825442) is 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine is c1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine?
The InChIKey is RGRGORMCSWGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2.
What are the key properties of 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine?
1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine has a molecular weight of 318.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-phenylindol-3-yl)methyl]methanamine is sourced from PubChem (CID 24825442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).