ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine

C11H23N — CID 144575382

IUPACethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine
SMILESC/C=N/C(CC)=C(\C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8(4)9(6-2)10-7-3;1-2/h7H,5-6H2,1-4H3;1-2H3/b9-8+,10-7+;
InChIKeyPEKXZHONHUHNMV-OVIXOSBESA-N
MW169.31 g/mol
LogP4.20
Rot. Bonds3

About ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine

ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine (PubChem CID 144575382) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine
PubChem CID144575382
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine
SMILESC/C=N/C(CC)=C(\C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8(4)9(6-2)10-7-3;1-2/h7H,5-6H2,1-4H3;1-2H3/b9-8+,10-7+;
InChIKeyPEKXZHONHUHNMV-OVIXOSBESA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine?
The IUPAC name of ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine (CID 144575382) is ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine.
What is the SMILES notation for ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine?
The canonical SMILES for ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine is C/C=N/C(CC)=C(\C)CC.CC.
What is the InChIKey of ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine?
The InChIKey is PEKXZHONHUHNMV-OVIXOSBESA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-5-8(4)9(6-2)10-7-3;1-2/h7H,5-6H2,1-4H3;1-2H3/b9-8+,10-7+;.
What are the key properties of ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine?
ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine has a molecular weight of 169.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-4-methylhex-3-en-3-yl]ethanimine is sourced from PubChem (CID 144575382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).