5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine

C15H30N2 — CID 159231383

IUPAC5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine
SMILESCC(C)C1=NCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H13N/c1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8-7/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyKSYFKGKXSLXJGZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.76
Rot. Bonds2

About 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine

5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine (PubChem CID 159231383) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine
PubChem CID159231383
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine
SMILESCC(C)C1=NCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H13N/c1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8-7/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyKSYFKGKXSLXJGZ-UHFFFAOYSA-N
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethene;1-propan-2-ylpiperidine
CID 177325228
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CID 167557798
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
methoxymethane;1-propan-2-ylazepane
CID 178173420
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
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CID 169177583

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine (CID 159231383) is 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine is CC(C)C1=NCCC1.CC(C)N1CCCCC1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine?
The InChIKey is KSYFKGKXSLXJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H13N/c1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-8-7/h8H,3-7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine?
5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-pyrrole;1-propan-2-ylpiperidine is sourced from PubChem (CID 159231383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).