N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine

C17H25N — CID 123358693

IUPACN,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine
SMILESC=C(C)C(CCC)c1c/c(=N/C)cc(C)cc1C
InChIInChI=1S/C17H25N/c1-7-8-16(12(2)3)17-11-15(18-6)10-13(4)9-14(17)5/h9-11,16H,2,7-8H2,1,3-6H3/b18-15+
InChIKeyXDSLYXIQZDAWHI-OBGWFSINSA-N
MW243.39 g/mol
LogP4.29
Rot. Bonds4

About N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine

N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine (PubChem CID 123358693) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound NameN,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine
PubChem CID123358693
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine
SMILESC=C(C)C(CCC)c1c/c(=N/C)cc(C)cc1C
InChIInChI=1S/C17H25N/c1-7-8-16(12(2)3)17-11-15(18-6)10-13(4)9-14(17)5/h9-11,16H,2,7-8H2,1,3-6H3/b18-15+
InChIKeyXDSLYXIQZDAWHI-OBGWFSINSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine?
The IUPAC name of N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine (CID 123358693) is N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine is C=C(C)C(CCC)c1c/c(=N/C)cc(C)cc1C.
What is the InChIKey of N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine?
The InChIKey is XDSLYXIQZDAWHI-OBGWFSINSA-N. The full InChI is InChI=1S/C17H25N/c1-7-8-16(12(2)3)17-11-15(18-6)10-13(4)9-14(17)5/h9-11,16H,2,7-8H2,1,3-6H3/b18-15+.
What are the key properties of N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine?
N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-3-(2-methylhex-1-en-3-yl)cyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 123358693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).