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

C17H32N2 — CID 143423157

IUPACethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
SMILESCC.CC.CC/C=C1/C=CC2(CCNCC2)/C1=N/C
InChIInChI=1S/C13H20N2.2C2H6/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13;2*1-2/h4-6,15H,3,7-10H2,1-2H3;2*1-2H3/b11-4-,14-12+;;
InChIKeyXMAZEQUFMUTRIM-JTBUTZKDSA-N
MW264.46 g/mol
LogP4.39
Rot. Bonds1

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

ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine (PubChem CID 143423157) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine.

Molecular Properties

Compound Nameethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
PubChem CID143423157
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Nameethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
SMILESCC.CC.CC/C=C1/C=CC2(CCNCC2)/C1=N/C
InChIInChI=1S/C13H20N2.2C2H6/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13;2*1-2/h4-6,15H,3,7-10H2,1-2H3;2*1-2H3/b11-4-,14-12+;;
InChIKeyXMAZEQUFMUTRIM-JTBUTZKDSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.39
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

4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
CID 91342279
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
N-heptyl-1-[3-methyl-4-(4-prop-1-en-2-ylpiperidin-4-yl)cyclohexa-1,3-dien-1-yl]methanimine
CID 138614306
N-[(Z)-2-methylidenepent-3-enyl]-1-piperidin-4-ylbut-3-en-1-imine
CID 144181867
spiro[6H-cyclopenta[f]indole-7,4'-piperidine]
CID 151101434
(4S)-3-ethenyl-2-(methyliminomethyl)-8-azaspiro[4.5]dec-2-en-4-amine
CID 155322392
ethane;2-methyl-3-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-amine
CID 155702969
3-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-en-4-amine
CID 155703014
(E)-6-(4-ethylpiperidin-4-yl)-N,5-dimethyl-4-prop-1-en-2-ylhex-4-en-3-imine
CID 156224349
(6Z)-N,2-dimethyl-6-(2-piperidin-3-ylethylidene)cyclohexa-2,4-dien-1-imine
CID 169696726
(3E,5Z)-3-methyl-N-propyl-4-(3,4,4-trimethylpiperidin-3-yl)octa-3,5,7-trien-2-amine
CID 170010170
4-[7-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-yl]cyclododecyl]piperidine
CID 174330256

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The IUPAC name of ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine (CID 143423157) is ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine.
What is the SMILES notation for ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The canonical SMILES for ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine is CC.CC.CC/C=C1/C=CC2(CCNCC2)/C1=N/C.
What is the InChIKey of ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
The InChIKey is XMAZEQUFMUTRIM-JTBUTZKDSA-N. The full InChI is InChI=1S/C13H20N2.2C2H6/c1-3-4-11-5-6-13(12(11)14-2)7-9-15-10-8-13;2*1-2/h4-6,15H,3,7-10H2,1-2H3;2*1-2H3/b11-4-,14-12+;;.
What are the key properties of ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine?
ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine has a molecular weight of 264.46 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine is sourced from PubChem (CID 143423157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).