N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine

C16H21NO2 — CID 67536022

IUPACN-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
SMILESCC1CC2(CC/C1=N\Cc1ccccc1)OCCO2
InChIInChI=1S/C16H21NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/b17-15+
InChIKeyRGTSVDMLYHEFIK-BMRADRMJSA-N
MW259.35 g/mol
LogP3.19
Rot. Bonds2

About N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine

N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine (PubChem CID 67536022) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine.

Molecular Properties

Compound NameN-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
PubChem CID67536022
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
SMILESCC1CC2(CC/C1=N\Cc1ccccc1)OCCO2
InChIInChI=1S/C16H21NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/b17-15+
InChIKeyRGTSVDMLYHEFIK-BMRADRMJSA-N
XLogP3.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 118230325
(7R,8S)-N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 169132478
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
9-benzyl-1,4-dioxa-9-azaspiro[4.7]dodecane-7-carbaldehyde
CID 89024276
(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
CID 71514471
benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 58208830
N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide
CID 155106776
N-benzyl-2-methyl-2,3-dihydroinden-1-imine
CID 166437795
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine?
The IUPAC name of N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine (CID 67536022) is N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine.
What is the SMILES notation for N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine?
The canonical SMILES for N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine is CC1CC2(CC/C1=N\Cc1ccccc1)OCCO2.
What is the InChIKey of N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine?
The InChIKey is RGTSVDMLYHEFIK-BMRADRMJSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-11-16(18-9-10-19-16)8-7-15(13)17-12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/b17-15+.
What are the key properties of N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine?
N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine has a molecular weight of 259.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine is sourced from PubChem (CID 67536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).