ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine

C20H39N — CID 142074696

IUPACethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine
SMILESC.C=CC.CC.CCCN=C(C)C.CCc1ccccc1
InChIInChI=1S/C8H10.C6H13N.C3H6.C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-4-5-7-6(2)3;1-3-2;1-2;/h3-7H,2H2,1H3;4-5H2,1-3H3;3H,1H2,2H3;1-2H3;1H4
InChIKeyZYTYYDBECKAGSN-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.98
Rot. Bonds3

About ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine

ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine (PubChem CID 142074696) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine.

Molecular Properties

Compound Nameethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine
PubChem CID142074696
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Nameethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine
SMILESC.C=CC.CC.CCCN=C(C)C.CCc1ccccc1
InChIInChI=1S/C8H10.C6H13N.C3H6.C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-4-5-7-6(2)3;1-3-2;1-2;/h3-7H,2H2,1H3;4-5H2,1-3H3;3H,1H2,2H3;1-2H3;1H4
InChIKeyZYTYYDBECKAGSN-UHFFFAOYSA-N
XLogP6.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethylbenzene;2-methylbut-2-ene
CID 145143829
acetic acid;ethane;ethylbenzene;methane
CID 159768897
ethane;ethylbenzene;methanol
CID 90833594
ethane;ethylbenzene
CID 90887003
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273
benzylbenzene;ethane;ethylbenzene;propane;prop-1-ene;prop-2-enylbenzene
CID 158031440
ethylbenzene;methane;styrene;hydrate
CID 169425917
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
1-(4-ethylphenyl)-N-propylethanimine
CID 146572817

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine?
The IUPAC name of ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine (CID 142074696) is ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine.
What is the SMILES notation for ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine?
The canonical SMILES for ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine is C.C=CC.CC.CCCN=C(C)C.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine?
The InChIKey is ZYTYYDBECKAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H13N.C3H6.C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-4-5-7-6(2)3;1-3-2;1-2;/h3-7H,2H2,1H3;4-5H2,1-3H3;3H,1H2,2H3;1-2H3;1H4.
What are the key properties of ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine?
ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine has a molecular weight of 293.54 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;methane;prop-1-ene;N-propylpropan-2-imine is sourced from PubChem (CID 142074696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).