N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine

C20H22N2 — CID 10401981

IUPACN,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine
SMILESc1ccc(C/N=C2\CN(Cc3ccccc3)CC23CC3)cc1
InChIInChI=1S/C20H22N2/c1-3-7-17(8-4-1)13-21-19-15-22(16-20(19)11-12-20)14-18-9-5-2-6-10-18/h1-10H,11-16H2/b21-19+
InChIKeyRPMAKONTPFATOI-XUTLUUPISA-N
MW290.41 g/mol
LogP3.92
Rot. Bonds4

About N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine

N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine (PubChem CID 10401981) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine.

Molecular Properties

Compound NameN,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine
PubChem CID10401981
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine
SMILESc1ccc(C/N=C2\CN(Cc3ccccc3)CC23CC3)cc1
InChIInChI=1S/C20H22N2/c1-3-7-17(8-4-1)13-21-19-15-22(16-20(19)11-12-20)14-18-9-5-2-6-10-18/h1-10H,11-16H2/b21-19+
InChIKeyRPMAKONTPFATOI-XUTLUUPISA-N
XLogP3.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
CID 141340665
1-benzyl-1,3-diazetidine
CID 67702530
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
1-benzyl-N-oxidoazetidin-3-imine
CID 39843484
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-benzyl-1,3-diazaspiro[4.4]nonane
CID 15573776

Frequently Asked Questions

What is the IUPAC name of N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine?
The IUPAC name of N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine (CID 10401981) is N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine.
What is the SMILES notation for N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine?
The canonical SMILES for N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine is c1ccc(C/N=C2\CN(Cc3ccccc3)CC23CC3)cc1.
What is the InChIKey of N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine?
The InChIKey is RPMAKONTPFATOI-XUTLUUPISA-N. The full InChI is InChI=1S/C20H22N2/c1-3-7-17(8-4-1)13-21-19-15-22(16-20(19)11-12-20)14-18-9-5-2-6-10-18/h1-10H,11-16H2/b21-19+.
What are the key properties of N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine?
N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine has a molecular weight of 290.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dibenzyl-5-azaspiro[2.4]heptan-7-imine is sourced from PubChem (CID 10401981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).