3-decyl-1-methylindole

C19H29N — CID 10802084

IUPAC3-decyl-1-methylindole
SMILESCCCCCCCCCCc1cn(C)c2ccccc12
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-13-17-16-20(2)19-15-12-11-14-18(17)19/h11-12,14-16H,3-10,13H2,1-2H3
InChIKeyRDVOPXQYYSCJIZ-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.86
Rot. Bonds9

About 3-decyl-1-methylindole

3-decyl-1-methylindole (PubChem CID 10802084) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-decyl-1-methylindole.

Molecular Properties

Compound Name3-decyl-1-methylindole
PubChem CID10802084
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-decyl-1-methylindole
SMILESCCCCCCCCCCc1cn(C)c2ccccc12
InChIInChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-13-17-16-20(2)19-15-12-11-14-18(17)19/h11-12,14-16H,3-10,13H2,1-2H3
InChIKeyRDVOPXQYYSCJIZ-UHFFFAOYSA-N
XLogP5.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.86
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

3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
CID 137414411
3-(2-bromoethyl)-1-methylindole
CID 13153306
4-(1-methylindol-3-yl)butanamide
CID 175206986
4-(1-methylindol-3-yl)butyl methanesulfonate
CID 10107768
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
1-tetradecylnaphthalene
CID 14402128
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584

Frequently Asked Questions

What is the IUPAC name of 3-decyl-1-methylindole?
The IUPAC name of 3-decyl-1-methylindole (CID 10802084) is 3-decyl-1-methylindole.
What is the SMILES notation for 3-decyl-1-methylindole?
The canonical SMILES for 3-decyl-1-methylindole is CCCCCCCCCCc1cn(C)c2ccccc12.
What is the InChIKey of 3-decyl-1-methylindole?
The InChIKey is RDVOPXQYYSCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-4-5-6-7-8-9-10-13-17-16-20(2)19-15-12-11-14-18(17)19/h11-12,14-16H,3-10,13H2,1-2H3.
What are the key properties of 3-decyl-1-methylindole?
3-decyl-1-methylindole has a molecular weight of 271.45 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1-methylindole is sourced from PubChem (CID 10802084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).