N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine

C21H34N2 — CID 70686044

IUPACN,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
SMILESCCCCCCCCn1cc(CCCN(C)C)c2ccccc21
InChIInChI=1S/C21H34N2/c1-4-5-6-7-8-11-17-23-18-19(13-12-16-22(2)3)20-14-9-10-15-21(20)23/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3
InChIKeyGOPJAMVUDGGEJQ-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.50
Rot. Bonds11

About N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine

N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine (PubChem CID 70686044) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
PubChem CID70686044
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
SMILESCCCCCCCCn1cc(CCCN(C)C)c2ccccc21
InChIInChI=1S/C21H34N2/c1-4-5-6-7-8-11-17-23-18-19(13-12-16-22(2)3)20-14-9-10-15-21(20)23/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3
InChIKeyGOPJAMVUDGGEJQ-UHFFFAOYSA-N
XLogP5.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
CID 170866980
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
trimethyl-[(1-octylindol-3-yl)methyl]azanium iodide
CID 70692357
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-decyl-1-methylindole
CID 10802084
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine (CID 70686044) is N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine is CCCCCCCCn1cc(CCCN(C)C)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine?
The InChIKey is GOPJAMVUDGGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-4-5-6-7-8-11-17-23-18-19(13-12-16-22(2)3)20-14-9-10-15-21(20)23/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine?
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine has a molecular weight of 314.52 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine is sourced from PubChem (CID 70686044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).