tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate

C15H29N3O2 — CID 83960032

IUPACtert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(CN)C12CCNC2
InChIInChI=1S/C15H29N3O2/c1-11-8-18(13(19)20-14(2,3)4)9-12(7-16)15(11)5-6-17-10-15/h11-12,17H,5-10,16H2,1-4H3
InChIKeyJTYWDEQMQWTCRC-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 83960032) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID83960032
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(CN)C12CCNC2
InChIInChI=1S/C15H29N3O2/c1-11-8-18(13(19)20-14(2,3)4)9-12(7-16)15(11)5-6-17-10-15/h11-12,17H,5-10,16H2,1-4H3
InChIKeyJTYWDEQMQWTCRC-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82380941
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CID 115051625
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 83960032) is tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(CN)C12CCNC2.
What is the InChIKey of tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is JTYWDEQMQWTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11-8-18(13(19)20-14(2,3)4)9-12(7-16)15(11)5-6-17-10-15/h11-12,17H,5-10,16H2,1-4H3.
What are the key properties of tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-(aminomethyl)-6-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 83960032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).