2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)

C70H149N5 — CID 158695141

IUPAC2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
SMILESCC(C)CC1CC2CCC(C1)N2C.CC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CC(C)CC1CCN(C)C1.CC(C)CC1CCN(C)CC1.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C
InChIInChI=1S/C12H23N.3C10H21N.C9H19N.C7H16.2C6H14/c1-9(2)6-10-7-11-4-5-12(8-10)13(11)3;1-9(2)8-10-4-6-11(3)7-5-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3;1-8(2)6-9-4-5-10(3)7-9;1-5-7(4)6(2)3;2*1-4-5-6(2)3/h9-12H,4-8H2,1-3H3;3*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3
InChIKeyIGVMVLNMTKSGEG-UHFFFAOYSA-N
MW1061.00 g/mol
LogP19.73
Rot. Bonds16

About 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)

2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) (PubChem CID 158695141) has the molecular formula C70H149N5 and a molecular weight of 1061.00 g/mol. Its IUPAC name is 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane).

Molecular Properties

Compound Name2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
PubChem CID158695141
Molecular FormulaC70H149N5
Molecular Weight1061.00 g/mol
Exact Mass1060.18
IUPAC Name2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
SMILESCC(C)CC1CC2CCC(C1)N2C.CC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CC(C)CC1CCN(C)C1.CC(C)CC1CCN(C)CC1.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C
InChIInChI=1S/C12H23N.3C10H21N.C9H19N.C7H16.2C6H14/c1-9(2)6-10-7-11-4-5-12(8-10)13(11)3;1-9(2)8-10-4-6-11(3)7-5-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3;1-8(2)6-9-4-5-10(3)7-9;1-5-7(4)6(2)3;2*1-4-5-6(2)3/h9-12H,4-8H2,1-3H3;3*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3
InChIKeyIGVMVLNMTKSGEG-UHFFFAOYSA-N
XLogP19.73
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.00
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)?
The IUPAC name of 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) (CID 158695141) is 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane).
What is the SMILES notation for 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)?
The canonical SMILES for 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) is CC(C)CC1CC2CCC(C1)N2C.CC(C)CC1CCCCN1C.CC(C)CC1CCCN(C)C1.CC(C)CC1CCN(C)C1.CC(C)CC1CCN(C)CC1.CCC(C)C(C)C.CCCC(C)C.CCCC(C)C.
What is the InChIKey of 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)?
The InChIKey is IGVMVLNMTKSGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.3C10H21N.C9H19N.C7H16.2C6H14/c1-9(2)6-10-7-11-4-5-12(8-10)13(11)3;1-9(2)8-10-4-6-11(3)7-5-10;1-9(2)7-10-5-4-6-11(3)8-10;1-9(2)8-10-6-4-5-7-11(10)3;1-8(2)6-9-4-5-10(3)7-9;1-5-7(4)6(2)3;2*1-4-5-6(2)3/h9-12H,4-8H2,1-3H3;3*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,5H2,1-4H3;2*6H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)?
2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) has a molecular weight of 1061.00 g/mol, XLogP of 19.73, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane) is sourced from PubChem (CID 158695141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).