10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane

C31H58N2 — CID 131972813

IUPAC10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane
SMILESCC(C)N1CCC(C(C)(C)CC(C)(C)N2CCC(C(C)(C)C)C3(CCCC3)C2)C2CCCC21
InChIInChI=1S/C31H58N2/c1-23(2)33-20-15-25(24-13-12-14-26(24)33)29(6,7)21-30(8,9)32-19-16-27(28(3,4)5)31(22-32)17-10-11-18-31/h23-27H,10-22H2,1-9H3
InChIKeyBXXOFUHOKDNTCP-UHFFFAOYSA-N
MW458.82 g/mol
LogP8.01
Rot. Bonds5

About 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane

10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane (PubChem CID 131972813) has the molecular formula C31H58N2 and a molecular weight of 458.82 g/mol. Its IUPAC name is 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane
PubChem CID131972813
Molecular FormulaC31H58N2
Molecular Weight458.82 g/mol
Exact Mass458.46
IUPAC Name10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane
SMILESCC(C)N1CCC(C(C)(C)CC(C)(C)N2CCC(C(C)(C)C)C3(CCCC3)C2)C2CCCC21
InChIInChI=1S/C31H58N2/c1-23(2)33-20-15-25(24-13-12-14-26(24)33)29(6,7)21-30(8,9)32-19-16-27(28(3,4)5)31(22-32)17-10-11-18-31/h23-27H,10-22H2,1-9H3
InChIKeyBXXOFUHOKDNTCP-UHFFFAOYSA-N
XLogP8.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.82
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 89228890
(4R)-1,4-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 174246096
(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
CID 171594457
4-tert-butylspiro[4.4]nonane
CID 140778111
4-tert-butyl-2,3-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2,6-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2-methyl-1-propan-2-ylpiperidine;4-tert-butyl-3-methyl-1-propan-2-ylpiperidine;4-tert-butyl-4-methyl-1-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;4-tert-butyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;5-tert-butyl-2-propan-2-yl-2-azabicyclo[2.2.2]octane;10-tert-butyl-7-propan-2-yl-7-azaspiro[4.5]decane;4-tert-butyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine;bis(1,4-ditert-butylazepane);1,3-ditert-butylpyrrolidine;2,2-dimethylpropane;3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane;2-propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 159777376
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291257
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
5-tert-butyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 170939617
2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170068641
(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291240
1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
CID 71218420

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane?
The IUPAC name of 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane (CID 131972813) is 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane.
What is the SMILES notation for 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane?
The canonical SMILES for 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane is CC(C)N1CCC(C(C)(C)CC(C)(C)N2CCC(C(C)(C)C)C3(CCCC3)C2)C2CCCC21.
What is the InChIKey of 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane?
The InChIKey is BXXOFUHOKDNTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N2/c1-23(2)33-20-15-25(24-13-12-14-26(24)33)29(6,7)21-30(8,9)32-19-16-27(28(3,4)5)31(22-32)17-10-11-18-31/h23-27H,10-22H2,1-9H3.
What are the key properties of 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane?
10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane has a molecular weight of 458.82 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-7-[2,4-dimethyl-4-(1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-yl)pentan-2-yl]-7-azaspiro[4.5]decane is sourced from PubChem (CID 131972813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).