6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine

C14H23N — CID 123824606

IUPAC6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine
SMILES[H]/N=C/C(C)CCCCC1=CCCC=CC1
InChIInChI=1S/C14H23N/c1-13(12-15)8-6-7-11-14-9-4-2-3-5-10-14/h2,4,10,12-13,15H,3,5-9,11H2,1H3/b15-12+
InChIKeyVXKKOROKVFUXRW-NTCAYCPXSA-N
MW205.34 g/mol
LogP4.50
Rot. Bonds6

About 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine

6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine (PubChem CID 123824606) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine.

Molecular Properties

Compound Name6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine
PubChem CID123824606
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine
SMILES[H]/N=C/C(C)CCCCC1=CCCC=CC1
InChIInChI=1S/C14H23N/c1-13(12-15)8-6-7-11-14-9-4-2-3-5-10-14/h2,4,10,12-13,15H,3,5-9,11H2,1H3/b15-12+
InChIKeyVXKKOROKVFUXRW-NTCAYCPXSA-N
XLogP4.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine?
The IUPAC name of 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine (CID 123824606) is 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine.
What is the SMILES notation for 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine?
The canonical SMILES for 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine is [H]/N=C/C(C)CCCCC1=CCCC=CC1.
What is the InChIKey of 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine?
The InChIKey is VXKKOROKVFUXRW-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H23N/c1-13(12-15)8-6-7-11-14-9-4-2-3-5-10-14/h2,4,10,12-13,15H,3,5-9,11H2,1H3/b15-12+.
What are the key properties of 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine?
6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine is sourced from PubChem (CID 123824606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).