ethane;N-methyl-4-propan-2-ylideneheptan-3-imine

C13H27N — CID 142516257

IUPACethane;N-methyl-4-propan-2-ylideneheptan-3-imine
SMILESCC.CCCC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C11H21N.C2H6/c1-6-8-10(9(3)4)11(7-2)12-5;1-2/h6-8H2,1-5H3;1-2H3/b12-11+;
InChIKeyZFSXKCMIZSEDGI-CALJPSDSSA-N
MW197.37 g/mol
LogP4.63
Rot. Bonds4

About ethane;N-methyl-4-propan-2-ylideneheptan-3-imine

ethane;N-methyl-4-propan-2-ylideneheptan-3-imine (PubChem CID 142516257) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;N-methyl-4-propan-2-ylideneheptan-3-imine.

Molecular Properties

Compound Nameethane;N-methyl-4-propan-2-ylideneheptan-3-imine
PubChem CID142516257
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;N-methyl-4-propan-2-ylideneheptan-3-imine
SMILESCC.CCCC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C11H21N.C2H6/c1-6-8-10(9(3)4)11(7-2)12-5;1-2/h6-8H2,1-5H3;1-2H3/b12-11+;
InChIKeyZFSXKCMIZSEDGI-CALJPSDSSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
CID 18739815
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-propan-2-ylideneheptan-3-imine?
The IUPAC name of ethane;N-methyl-4-propan-2-ylideneheptan-3-imine (CID 142516257) is ethane;N-methyl-4-propan-2-ylideneheptan-3-imine.
What is the SMILES notation for ethane;N-methyl-4-propan-2-ylideneheptan-3-imine?
The canonical SMILES for ethane;N-methyl-4-propan-2-ylideneheptan-3-imine is CC.CCCC(=C(C)C)/C(CC)=N/C.
What is the InChIKey of ethane;N-methyl-4-propan-2-ylideneheptan-3-imine?
The InChIKey is ZFSXKCMIZSEDGI-CALJPSDSSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-6-8-10(9(3)4)11(7-2)12-5;1-2/h6-8H2,1-5H3;1-2H3/b12-11+;.
What are the key properties of ethane;N-methyl-4-propan-2-ylideneheptan-3-imine?
ethane;N-methyl-4-propan-2-ylideneheptan-3-imine has a molecular weight of 197.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-propan-2-ylideneheptan-3-imine is sourced from PubChem (CID 142516257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).