1-nonyl-2-propylindole

C20H31N — CID 19869956

IUPAC1-nonyl-2-propylindole
SMILESCCCCCCCCCn1c(CCC)cc2ccccc21
InChIInChI=1S/C20H31N/c1-3-5-6-7-8-9-12-16-21-19(13-4-2)17-18-14-10-11-15-20(18)21/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3
InChIKeyMGUVFNBRZZMNML-UHFFFAOYSA-N
MW285.48 g/mol
LogP6.34
Rot. Bonds10

About 1-nonyl-2-propylindole

1-nonyl-2-propylindole (PubChem CID 19869956) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-nonyl-2-propylindole.

Molecular Properties

Compound Name1-nonyl-2-propylindole
PubChem CID19869956
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-nonyl-2-propylindole
SMILESCCCCCCCCCn1c(CCC)cc2ccccc21
InChIInChI=1S/C20H31N/c1-3-5-6-7-8-9-12-16-21-19(13-4-2)17-18-14-10-11-15-20(18)21/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3
InChIKeyMGUVFNBRZZMNML-UHFFFAOYSA-N
XLogP6.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-tetradecylindole
CID 19869962
2-(2-propylindol-1-yl)acetic acid
CID 139491348
1-methyl-2-propylindole
CID 13170349
1-pentyl-2-phenylindole
CID 54214068
1-(2-octylindol-1-yl)ethanone
CID 16726259
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-propylindole?
The IUPAC name of 1-nonyl-2-propylindole (CID 19869956) is 1-nonyl-2-propylindole.
What is the SMILES notation for 1-nonyl-2-propylindole?
The canonical SMILES for 1-nonyl-2-propylindole is CCCCCCCCCn1c(CCC)cc2ccccc21.
What is the InChIKey of 1-nonyl-2-propylindole?
The InChIKey is MGUVFNBRZZMNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-5-6-7-8-9-12-16-21-19(13-4-2)17-18-14-10-11-15-20(18)21/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3.
What are the key properties of 1-nonyl-2-propylindole?
1-nonyl-2-propylindole has a molecular weight of 285.48 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-propylindole is sourced from PubChem (CID 19869956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).