2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine

C27H51N5 — CID 159960473

IUPAC2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CCNCC1.CC1CCNC1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.3C5H11N.C4H9N/c1-2-4-8-6-9-5-7(8)3-1;1-5-2-3-6-4-5;2*1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4,9H,5-6H2;5-6H,2-4H2,1H3;2*6H,1-5H2;5H,1-4H2
InChIKeyODGKEVZBYXNXTD-UHFFFAOYSA-N
MW445.74 g/mol
LogP3.80
Rot. Bonds

About 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine

2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine (PubChem CID 159960473) has the molecular formula C27H51N5 and a molecular weight of 445.74 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine
PubChem CID159960473
Molecular FormulaC27H51N5
Molecular Weight445.74 g/mol
Exact Mass445.41
IUPAC Name2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CCNCC1.CC1CCNC1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.3C5H11N.C4H9N/c1-2-4-8-6-9-5-7(8)3-1;1-5-2-3-6-4-5;2*1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4,9H,5-6H2;5-6H,2-4H2,1H3;2*6H,1-5H2;5H,1-4H2
InChIKeyODGKEVZBYXNXTD-UHFFFAOYSA-N
XLogP3.80
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.74
LogP ≤ 53.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496
ethane;4-methylpiperidine;piperidine
CID 143189861
3-methylazepane
CID 14291801
azane;2,3-dihydro-1H-isoindole
CID 23342931
benzene;2,3-dihydro-1H-isoindole
CID 161490745
cyclopentane;4-methylpiperidine
CID 143138909
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
3-methylpyrrolidine;phosphinous acid
CID 142914115
methanethiol;3-methylpyrrolidine;dihydrate
CID 169181440
2,3-dihydro-1H-isoindole;propane
CID 143664117
ethane;(3S)-3-methylpiperidine
CID 144634573
ethane;methanol;3-methylpyrrolidine
CID 143573656

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine?
The IUPAC name of 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine (CID 159960473) is 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine.
What is the SMILES notation for 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine?
The canonical SMILES for 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine is C1CCNC1.C1CCNCC1.C1CCNCC1.CC1CCNC1.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine?
The InChIKey is ODGKEVZBYXNXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.3C5H11N.C4H9N/c1-2-4-8-6-9-5-7(8)3-1;1-5-2-3-6-4-5;2*1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4,9H,5-6H2;5-6H,2-4H2,1H3;2*6H,1-5H2;5H,1-4H2.
What are the key properties of 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine?
2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine has a molecular weight of 445.74 g/mol, XLogP of 3.80, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine is sourced from PubChem (CID 159960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).