propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C76H163N11 — CID 167690216

IUPACpropan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCN1.CC(C)N1CCCNC1
InChIInChI=1S/C9H18.4C8H17N.2C7H16N2.3C7H15N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyWUXFCQXKDLKVGV-UHFFFAOYSA-N
MW1231.22 g/mol
LogP16.19
Rot. Bonds10

About propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 167690216) has the molecular formula C76H163N11 and a molecular weight of 1231.22 g/mol. Its IUPAC name is propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namepropan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
PubChem CID167690216
Molecular FormulaC76H163N11
Molecular Weight1231.22 g/mol
Exact Mass1230.31
IUPAC Namepropan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCN1.CC(C)N1CCCNC1
InChIInChI=1S/C9H18.4C8H17N.2C7H16N2.3C7H15N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyWUXFCQXKDLKVGV-UHFFFAOYSA-N
XLogP16.19
TPSA88.38 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001231.22
LogP ≤ 516.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The IUPAC name of propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 167690216) is propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCN1.CC(C)C1CCCNC1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCN1.CC(C)N1CCCNC1.
What is the InChIKey of propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The InChIKey is WUXFCQXKDLKVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.4C8H17N.2C7H16N2.3C7H15N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-7(2)9-5-3-4-8-6-9;1-7(2)9-6-4-3-5-8-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 1231.22 g/mol, XLogP of 16.19, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclohexane;1-propan-2-yldiazinane;1-propan-2-yl-1,3-diazinane;bis(1-propan-2-ylpiperidine);2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 167690216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).