1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine

C23H30N2 — CID 175726887

IUPAC1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)CCC(Cc1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C23H30N2/c24-21-11-14-23(15-12-21)16-13-22(17-19-7-3-1-4-8-19)25(23)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2
InChIKeyBSCFTJYTTQRUBO-UHFFFAOYSA-N
MW334.51 g/mol
LogP4.53
Rot. Bonds4

About 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine

1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine (PubChem CID 175726887) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
PubChem CID175726887
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)CCC(Cc1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C23H30N2/c24-21-11-14-23(15-12-21)16-13-22(17-19-7-3-1-4-8-19)25(23)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2
InChIKeyBSCFTJYTTQRUBO-UHFFFAOYSA-N
XLogP4.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
[(5S)-4-azaspiro[2.4]heptan-5-yl]methanol;[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methanol;hydrochloride
CID 158701553
2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
2-benzyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 126696260
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
1,2-dibenzylpyrazolidin-4-amine
CID 20519767
2-benzyl-1-cyclopropylpiperidin-4-amine
CID 68576010
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886
1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane
CID 10937861
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
1-benzylpiperidin-4-amine;piperazine
CID 68641719

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine?
The IUPAC name of 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine (CID 175726887) is 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine is NC1CCC2(CC1)CCC(Cc1ccccc1)N2Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine?
The InChIKey is BSCFTJYTTQRUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c24-21-11-14-23(15-12-21)16-13-22(17-19-7-3-1-4-8-19)25(23)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2.
What are the key properties of 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine?
1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine has a molecular weight of 334.51 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 175726887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).