3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine

C30H59N — CID 134298235

IUPAC3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine
SMILESCCC(C)C1CC(C(C)C)CC(C(C)CCC(C)C2CC(C(C)C)CN(C(C)C)C2)C1
InChIInChI=1S/C30H59N/c1-11-23(8)27-14-26(20(2)3)15-28(16-27)24(9)12-13-25(10)30-17-29(21(4)5)18-31(19-30)22(6)7/h20-30H,11-19H2,1-10H3
InChIKeyIFFKTMMEYYNWEM-UHFFFAOYSA-N
MW433.81 g/mol
LogP8.78
Rot. Bonds10

About 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine

3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine (PubChem CID 134298235) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine
PubChem CID134298235
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC Name3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine
SMILESCCC(C)C1CC(C(C)C)CC(C(C)CCC(C)C2CC(C(C)C)CN(C(C)C)C2)C1
InChIInChI=1S/C30H59N/c1-11-23(8)27-14-26(20(2)3)15-28(16-27)24(9)12-13-25(10)30-17-29(21(4)5)18-31(19-30)22(6)7/h20-30H,11-19H2,1-10H3
InChIKeyIFFKTMMEYYNWEM-UHFFFAOYSA-N
XLogP8.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine with MolForge

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Related Compounds

3-ethyl-1,5-di(propan-2-yl)piperidine
CID 135137070
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
CID 167531805
3-butan-2-yl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 154672226
2-[3,5-di(propan-2-yl)cyclohexyl]propan-1-ol
CID 139761097
1,4-di(propan-2-yl)piperidine
CID 21303253
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine
CID 137395019
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
CID 155468867
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine?
The IUPAC name of 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine (CID 134298235) is 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine?
The canonical SMILES for 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine is CCC(C)C1CC(C(C)C)CC(C(C)CCC(C)C2CC(C(C)C)CN(C(C)C)C2)C1.
What is the InChIKey of 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine?
The InChIKey is IFFKTMMEYYNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N/c1-11-23(8)27-14-26(20(2)3)15-28(16-27)24(9)12-13-25(10)30-17-29(21(4)5)18-31(19-30)22(6)7/h20-30H,11-19H2,1-10H3.
What are the key properties of 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine?
3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine has a molecular weight of 433.81 g/mol, XLogP of 8.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-butan-2-yl-5-propan-2-ylcyclohexyl)hexan-2-yl]-1,5-di(propan-2-yl)piperidine is sourced from PubChem (CID 134298235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).