4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)

C31H79N5 — CID 160724796

IUPAC4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)
SMILESC1=NCCN1.C1CCNC1.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1
InChIInChI=1S/C6H13N.2C4H9N.C3H6N2.7C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;1-2-5-3-4-1;7*1-2/h2-6H2,1H3;2*5H,1-4H2;3H,1-2H2,(H,4,5);7*1-2H3
InChIKeyRTOHLTQCALNHFJ-UHFFFAOYSA-N
MW522.01 g/mol
LogP8.64
Rot. Bonds

About 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)

4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine) (PubChem CID 160724796) has the molecular formula C31H79N5 and a molecular weight of 522.01 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine).

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)
PubChem CID160724796
Molecular FormulaC31H79N5
Molecular Weight522.01 g/mol
Exact Mass521.63
IUPAC Name4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)
SMILESC1=NCCN1.C1CCNC1.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1
InChIInChI=1S/C6H13N.2C4H9N.C3H6N2.7C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;1-2-5-3-4-1;7*1-2/h2-6H2,1H3;2*5H,1-4H2;3H,1-2H2,(H,4,5);7*1-2H3
InChIKeyRTOHLTQCALNHFJ-UHFFFAOYSA-N
XLogP8.64
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.01
LogP ≤ 58.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1,6,11,16-tetrazacycloicosane
CID 22113601
1,6-dimethyl-1,6,11,16-tetrazacycloicosane
CID 22113785
4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine
CID 159311212
1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111
calcium;4,5-dihydro-1H-imidazole;hydride
CID 174554076
4,5-dihydro-1H-imidazole;1,4-dihydropyridine;1,4-dimethylpiperazine;ethane;imidazolidine;methane;1-methylpiperidine;morpholine;piperazine;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;pyrrolidine
CID 160643229
1-methylpiperazine;piperazine;piperidine;pyrrolidine
CID 158850243
4,5-dihydro-1H-imidazole;hydrate
CID 22101892
4,5-dihydro-1H-imidazole;iron
CID 159609586
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)?
The IUPAC name of 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine) (CID 160724796) is 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine).
What is the SMILES notation for 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)?
The canonical SMILES for 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine) is C1=NCCN1.C1CCNC1.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.
What is the InChIKey of 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)?
The InChIKey is RTOHLTQCALNHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.2C4H9N.C3H6N2.7C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;1-2-5-3-4-1;7*1-2/h2-6H2,1H3;2*5H,1-4H2;3H,1-2H2,(H,4,5);7*1-2H3.
What are the key properties of 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine)?
4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine) has a molecular weight of 522.01 g/mol, XLogP of 8.64, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;ethane;1-methylpiperidine;bis(pyrrolidine) is sourced from PubChem (CID 160724796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).