N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline

C21H27N3 — CID 59230174

IUPACN-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
SMILESNC1CCC(CNc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C21H27N3/c22-18-7-5-16(6-8-18)15-23-19-9-11-20(12-10-19)24-14-13-17-3-1-2-4-21(17)24/h1-4,9-12,16,18,23H,5-8,13-15,22H2
InChIKeyVRLFSSZMKNNDIS-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.31
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline

N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline (PubChem CID 59230174) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
PubChem CID59230174
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
SMILESNC1CCC(CNc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C21H27N3/c22-18-7-5-16(6-8-18)15-23-19-9-11-20(12-10-19)24-14-13-17-3-1-2-4-21(17)24/h1-4,9-12,16,18,23H,5-8,13-15,22H2
InChIKeyVRLFSSZMKNNDIS-UHFFFAOYSA-N
XLogP4.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline (CID 59230174) is N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline is NC1CCC(CNc2ccc(N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline?
The InChIKey is VRLFSSZMKNNDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c22-18-7-5-16(6-8-18)15-23-19-9-11-20(12-10-19)24-14-13-17-3-1-2-4-21(17)24/h1-4,9-12,16,18,23H,5-8,13-15,22H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline?
N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline has a molecular weight of 321.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline is sourced from PubChem (CID 59230174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).