tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C24H37N3O2 — CID 168786772

IUPACtert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)CC(c1ccc(C2(N)CC2)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C24H37N3O2/c1-17(2)12-20(18-6-8-19(9-7-18)24(25)10-11-24)26-13-23(14-26)15-27(16-23)21(28)29-22(3,4)5/h6-9,17,20H,10-16,25H2,1-5H3
InChIKeyYOOFPKVPQPMBKN-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.27
Rot. Bonds5

About tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 168786772) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID168786772
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Nametert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)CC(c1ccc(C2(N)CC2)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C24H37N3O2/c1-17(2)12-20(18-6-8-19(9-7-18)24(25)10-11-24)26-13-23(14-26)15-27(16-23)21(28)29-22(3,4)5/h6-9,17,20H,10-16,25H2,1-5H3
InChIKeyYOOFPKVPQPMBKN-UHFFFAOYSA-N
XLogP4.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]azetidin-3-yl]-N-methylcarbamate
CID 166925991
tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]azetidin-3-yl]carbamate
CID 166925973
tert-butyl 3-ethoxy-3-(4-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146552213
tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate
CID 166926233
tert-butyl (3S)-3-amino-3-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 122687772
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 2-[bis(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 130404438
tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 166116219
CID 176582761
CID 176582761
tert-butyl 4-[1-[4-[(1S)-1-aminoethyl]phenyl]cyclopentyl]piperazine-1-carboxylate
CID 167242406
tert-butyl 2-benzhydryl-2,9-diazaspiro[3.6]decane-9-carboxylate
CID 170772009

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 168786772) is tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(C)CC(c1ccc(C2(N)CC2)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is YOOFPKVPQPMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-17(2)12-20(18-6-8-19(9-7-18)24(25)10-11-24)26-13-23(14-26)15-27(16-23)21(28)29-22(3,4)5/h6-9,17,20H,10-16,25H2,1-5H3.
What are the key properties of tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 399.58 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 168786772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).