2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate

C39H72N2O4 — CID 145333542

IUPAC2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate
SMILESC=C(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC(C)C.CC1CC2CC(C)CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)(C1)C2
InChIInChI=1S/C21H37NO2.C14H25NO2.C4H10/c1-14-7-16-8-15(2)10-21(9-14,11-16)18(23)24-17-12-19(3,4)22-20(5,6)13-17;1-10(2)12(16)17-11-8-13(3,4)15(7)14(5,6)9-11;1-4(2)3/h14-17,22H,7-13H2,1-6H3;11H,1,8-9H2,2-7H3;4H,1-3H3
InChIKeyXCQXZTQHPOKSEF-UHFFFAOYSA-N
MW633.02 g/mol
LogP9.11
Rot. Bonds4

About 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate

2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate (PubChem CID 145333542) has the molecular formula C39H72N2O4 and a molecular weight of 633.02 g/mol. Its IUPAC name is 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate
PubChem CID145333542
Molecular FormulaC39H72N2O4
Molecular Weight633.02 g/mol
Exact Mass632.55
IUPAC Name2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate
SMILESC=C(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC(C)C.CC1CC2CC(C)CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)(C1)C2
InChIInChI=1S/C21H37NO2.C14H25NO2.C4H10/c1-14-7-16-8-15(2)10-21(9-14,11-16)18(23)24-17-12-19(3,4)22-20(5,6)13-17;1-10(2)12(16)17-11-8-13(3,4)15(7)14(5,6)9-11;1-4(2)3/h14-17,22H,7-13H2,1-6H3;11H,1,8-9H2,2-7H3;4H,1-3H3
InChIKeyXCQXZTQHPOKSEF-UHFFFAOYSA-N
XLogP9.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.02
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane
CID 157489210
1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
CID 139317087
1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) 2-methylprop-2-enoate
CID 89042777
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
piperidin-4-yl 2-methylprop-2-enoate;2,2,6,6-tetramethylpiperazine
CID 174862427
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate
CID 159558357
(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 102481533

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate?
The IUPAC name of 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate (CID 145333542) is 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate.
What is the SMILES notation for 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate?
The canonical SMILES for 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate is C=C(C)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CC(C)C.CC1CC2CC(C)CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)(C1)C2.
What is the InChIKey of 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate?
The InChIKey is XCQXZTQHPOKSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2.C14H25NO2.C4H10/c1-14-7-16-8-15(2)10-21(9-14,11-16)18(23)24-17-12-19(3,4)22-20(5,6)13-17;1-10(2)12(16)17-11-8-13(3,4)15(7)14(5,6)9-11;1-4(2)3/h14-17,22H,7-13H2,1-6H3;11H,1,8-9H2,2-7H3;4H,1-3H3.
What are the key properties of 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate?
2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate has a molecular weight of 633.02 g/mol, XLogP of 9.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate is sourced from PubChem (CID 145333542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).