acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine

C18H30N2O — CID 143673564

IUPACacetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine
SMILESCC.CC=O.CCNCCCc1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C14H20N2.C2H4O.C2H6/c1-3-15-8-4-5-13-10-12-9-11(2)6-7-14(12)16-13;1-2-3;1-2/h6-7,9-10,15-16H,3-5,8H2,1-2H3;2H,1H3;1-2H3
InChIKeyUHKUFUHZIRSBFF-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.25
Rot. Bonds5

About acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine

acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine (PubChem CID 143673564) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine
PubChem CID143673564
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Nameacetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine
SMILESCC.CC=O.CCNCCCc1cc2cc(C)ccc2[nH]1
InChIInChI=1S/C14H20N2.C2H4O.C2H6/c1-3-15-8-4-5-13-10-12-9-11(2)6-7-14(12)16-13;1-2-3;1-2/h6-7,9-10,15-16H,3-5,8H2,1-2H3;2H,1H3;1-2H3
InChIKeyUHKUFUHZIRSBFF-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine?
The IUPAC name of acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine (CID 143673564) is acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine.
What is the SMILES notation for acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine?
The canonical SMILES for acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine is CC.CC=O.CCNCCCc1cc2cc(C)ccc2[nH]1.
What is the InChIKey of acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine?
The InChIKey is UHKUFUHZIRSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2H4O.C2H6/c1-3-15-8-4-5-13-10-12-9-11(2)6-7-14(12)16-13;1-2-3;1-2/h6-7,9-10,15-16H,3-5,8H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine?
acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine is sourced from PubChem (CID 143673564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).