2,3-dihydro-1H-indole;ethane;1H-indole;piperidine

C33H63N3 — CID 160955501

IUPAC2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
SMILESC1CCNCC1.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C8H7N.C5H11N.6C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;6*1-2/h1-4,9H,5-6H2;1-6,9H;6H,1-5H2;6*1-2H3
InChIKeySWIFDUPGNSRSNB-UHFFFAOYSA-N
MW501.89 g/mol
LogP10.74
Rot. Bonds

About 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine

2,3-dihydro-1H-indole;ethane;1H-indole;piperidine (PubChem CID 160955501) has the molecular formula C33H63N3 and a molecular weight of 501.89 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
PubChem CID160955501
Molecular FormulaC33H63N3
Molecular Weight501.89 g/mol
Exact Mass501.50
IUPAC Name2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
SMILESC1CCNCC1.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C8H7N.C5H11N.6C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;6*1-2/h1-4,9H,5-6H2;1-6,9H;6H,1-5H2;6*1-2H3
InChIKeySWIFDUPGNSRSNB-UHFFFAOYSA-N
XLogP10.74
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.89
LogP ≤ 510.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indole;piperidine;pyrimidine
CID 174668037
1H-indole;1,4,7-triazonane
CID 158488040
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
CID 159287838
ethane;1H-indole;methane
CID 169425426
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
bis(1H-indole);methanol
CID 70305490
1H-indole;dihydrochloride
CID 18796541
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine?
The IUPAC name of 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine (CID 160955501) is 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine.
What is the SMILES notation for 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine?
The canonical SMILES for 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine is C1CCNCC1.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine?
The InChIKey is SWIFDUPGNSRSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C8H7N.C5H11N.6C2H6/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;6*1-2/h1-4,9H,5-6H2;1-6,9H;6H,1-5H2;6*1-2H3.
What are the key properties of 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine?
2,3-dihydro-1H-indole;ethane;1H-indole;piperidine has a molecular weight of 501.89 g/mol, XLogP of 10.74, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;ethane;1H-indole;piperidine is sourced from PubChem (CID 160955501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).