3-hexyl-1,2-dimethylindol-5-amine

C16H24N2 — CID 19016534

IUPAC3-hexyl-1,2-dimethylindol-5-amine
SMILESCCCCCCc1c(C)n(C)c2ccc(N)cc12
InChIInChI=1S/C16H24N2/c1-4-5-6-7-8-14-12(2)18(3)16-10-9-13(17)11-15(14)16/h9-11H,4-8,17H2,1-3H3
InChIKeyNIJVUEFKSWHUEM-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.19
Rot. Bonds5

About 3-hexyl-1,2-dimethylindol-5-amine

3-hexyl-1,2-dimethylindol-5-amine (PubChem CID 19016534) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-hexyl-1,2-dimethylindol-5-amine.

Molecular Properties

Compound Name3-hexyl-1,2-dimethylindol-5-amine
PubChem CID19016534
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-hexyl-1,2-dimethylindol-5-amine
SMILESCCCCCCc1c(C)n(C)c2ccc(N)cc12
InChIInChI=1S/C16H24N2/c1-4-5-6-7-8-14-12(2)18(3)16-10-9-13(17)11-15(14)16/h9-11H,4-8,17H2,1-3H3
InChIKeyNIJVUEFKSWHUEM-UHFFFAOYSA-N
XLogP4.19
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
1-methyl-2-pentylindol-5-amine
CID 150191392
1-(3-hexyl-1,2-dimethylindol-5-yl)-1-pyridin-3-ylurea
CID 174374661
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
3-methyl-4-octylaniline
CID 139523093
N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 170866976
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
CID 175185429
3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
7-hexyl-6,18-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411732

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1,2-dimethylindol-5-amine?
The IUPAC name of 3-hexyl-1,2-dimethylindol-5-amine (CID 19016534) is 3-hexyl-1,2-dimethylindol-5-amine.
What is the SMILES notation for 3-hexyl-1,2-dimethylindol-5-amine?
The canonical SMILES for 3-hexyl-1,2-dimethylindol-5-amine is CCCCCCc1c(C)n(C)c2ccc(N)cc12.
What is the InChIKey of 3-hexyl-1,2-dimethylindol-5-amine?
The InChIKey is NIJVUEFKSWHUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-5-6-7-8-14-12(2)18(3)16-10-9-13(17)11-15(14)16/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 3-hexyl-1,2-dimethylindol-5-amine?
3-hexyl-1,2-dimethylindol-5-amine has a molecular weight of 244.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1,2-dimethylindol-5-amine is sourced from PubChem (CID 19016534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).