N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine

C16H24N2 — CID 170866976

IUPACN,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc2c(c1)c(CCCN(C)C)c(C)n2C
InChIInChI=1S/C16H24N2/c1-12-8-9-16-15(11-12)14(13(2)18(16)5)7-6-10-17(3)4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyZCGVOGXLMYMFRZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.29
Rot. Bonds4

About N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine

N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine (PubChem CID 170866976) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
PubChem CID170866976
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine
SMILESCc1ccc2c(c1)c(CCCN(C)C)c(C)n2C
InChIInChI=1S/C16H24N2/c1-12-8-9-16-15(11-12)14(13(2)18(16)5)7-6-10-17(3)4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyZCGVOGXLMYMFRZ-UHFFFAOYSA-N
XLogP3.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine (CID 170866976) is N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine is Cc1ccc2c(c1)c(CCCN(C)C)c(C)n2C.
What is the InChIKey of N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine?
The InChIKey is ZCGVOGXLMYMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-8-9-16-15(11-12)14(13(2)18(16)5)7-6-10-17(3)4/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine?
N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,5-trimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 170866976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).