1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane

C30H61N — CID 162072705

IUPAC1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCCC1
InChIInChI=1S/C11H23N.C10H20.C9H18/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyZBHNKVGRUIUJMV-UHFFFAOYSA-N
MW435.83 g/mol
LogP9.60
Rot. Bonds5

About 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane

1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane (PubChem CID 162072705) has the molecular formula C30H61N and a molecular weight of 435.83 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
PubChem CID162072705
Molecular FormulaC30H61N
Molecular Weight435.83 g/mol
Exact Mass435.48
IUPAC Name1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
SMILESCC(C)C1CCCCC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCCC1
InChIInChI=1S/C11H23N.C10H20.C9H18/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyZBHNKVGRUIUJMV-UHFFFAOYSA-N
XLogP9.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane with MolForge

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Related Compounds

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1,4-di(propan-2-yl)piperidine
CID 21303253
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
propane;propan-2-ylcyclopentane
CID 91615250

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane?
The IUPAC name of 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane (CID 162072705) is 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane.
What is the SMILES notation for 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane?
The canonical SMILES for 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane is CC(C)C1CCCCC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCCC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane?
The InChIKey is ZBHNKVGRUIUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H20.C9H18/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane?
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane has a molecular weight of 435.83 g/mol, XLogP of 9.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane is sourced from PubChem (CID 162072705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).