ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine

C11H23N — CID 142099141

IUPACethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
SMILESCC.CC(C)=N/C(C)=C\C(C)C
InChIInChI=1S/C9H17N.C2H6/c1-7(2)6-9(5)10-8(3)4;1-2/h6-7H,1-5H3;1-2H3/b9-6-;
InChIKeySGLVJABYWKUNKK-BORNJIKYSA-N
MW169.31 g/mol
LogP4.05
Rot. Bonds2

About ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine

ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine (PubChem CID 142099141) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
PubChem CID142099141
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
SMILESCC.CC(C)=N/C(C)=C\C(C)C
InChIInChI=1S/C9H17N.C2H6/c1-7(2)6-9(5)10-8(3)4;1-2/h6-7H,1-5H3;1-2H3/b9-6-;
InChIKeySGLVJABYWKUNKK-BORNJIKYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.05
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

N-[(Z)-4-methylpent-2-en-3-yl]ethanimidoyl fluoride
CID 169797948
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 168972427
1,1-difluoro-N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
CID 169247511
3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine
CID 177040906
3H-Pyrrole, 2,3,3-trimethyl-5-(1-methylethyl)-
CID 5325602
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
2-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 58333388
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
2,3-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68404427
2,3,5-trimethyl-3H-pyrrole
CID 68404502

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The IUPAC name of ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine (CID 142099141) is ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine.
What is the SMILES notation for ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The canonical SMILES for ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine is CC.CC(C)=N/C(C)=C\C(C)C.
What is the InChIKey of ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
The InChIKey is SGLVJABYWKUNKK-BORNJIKYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-7(2)6-9(5)10-8(3)4;1-2/h6-7H,1-5H3;1-2H3/b9-6-;.
What are the key properties of ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine?
ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 142099141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).