(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine

C13H20N2 — CID 143423158

IUPAC(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
SMILESCC/C=C1/C=CC2(CCNCC2)/C1=N/C
InChIInChI=1S/C13H20N2/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13/h4-6,15H,3,7-10H2,1-2H3/b11-4-,14-12+
InChIKeyIFAVSUIOWQHDCX-DJZVZJLNSA-N
MW204.32 g/mol
LogP2.33
Rot. Bonds1

About (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine

(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine (PubChem CID 143423158) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
PubChem CID143423158
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
SMILESCC/C=C1/C=CC2(CCNCC2)/C1=N/C
InChIInChI=1S/C13H20N2/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13/h4-6,15H,3,7-10H2,1-2H3/b11-4-,14-12+
InChIKeyIFAVSUIOWQHDCX-DJZVZJLNSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
CID 145360718
(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
CID 58137278
(3E)-3-propylidenespiro[5.5]undec-4-ene
CID 20622624
2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 143147204
(3Z)-N-methyl-3-propylidenepiperidin-4-imine
CID 177021873
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
4-(2-ethylcyclohexyl)piperidin-4-ol
CID 63861631
7-azaspiro[3.5]nonane;propane
CID 91104176
(3E,5E)-5-ethylidene-3-propylidene-2,9-diazaspiro[5.5]undecane
CID 142941810
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
3-propylidenepiperidine
CID 66869836
6-azaspiro[2.5]octane;ethane;propane
CID 176979994

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The IUPAC name of (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine (CID 143423158) is (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine.
What is the SMILES notation for (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The canonical SMILES for (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine is CC/C=C1/C=CC2(CCNCC2)/C1=N/C.
What is the InChIKey of (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The InChIKey is IFAVSUIOWQHDCX-DJZVZJLNSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13/h4-6,15H,3,7-10H2,1-2H3/b11-4-,14-12+.
What are the key properties of (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine has a molecular weight of 204.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine is sourced from PubChem (CID 143423158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).